2-[[2-[(E)-2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]ethenyl]-6-chloranyl-5-(1-ethanimidoylpiperidin-4-yl)oxy-2,3-dihydroindol-1-yl]sulfonyl]ethanoic acid dihydrochloride

Systemtic Name: 2-[[2-[(E)-2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]ethenyl]-6-chloranyl-5-(1-ethanimidoylpiperidin-4-yl)oxy-2,3-dihydroindol-1-yl]sulfonyl]ethanoic acid dihydrochloride Openeye Name: 2-[6-chloro-2-[(E)-2-[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]vinyl]-5-[(1-ethanimidoyl-4-piperidyl)oxy]indolin-1-yl]sulfonylacetic acid dihydrochloride CAS Name: 2-[[6-chloro-2-[(E)-2-[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]ethenyl]-5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2,3-dihydroindol-1-yl]sulfonyl]acetic acid dihydrochloride IUPAC Name: 2-[[6-chloro-2-[(E)-2-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]ethenyl]-5-(1-ethanimidoylpiperidin-4-yl)oxy-2,3-dihydroindol-1-yl]sulfonyl]acetic acid dihydrochloride Traditional Name: 2-[5-[(1-acetimidoyl-4-piperidyl)oxy]-6-chloro-2-[(E)-2-[3-(diaminomethylene)-6-keto-cyclohexa-1,4-dien-1-yl]vinyl]indolin-1-yl]sulfonylacetic acid dihydrochloride Formula: C26H32Cl3N5O6S MolecularWeight: 648.98618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=C(C=C3C(=C2)CC(N3S(=O)(=O)CC(=O)O)C=CC4=CC(=C(N)N)C=CC4=O)Cl.Cl.Cl

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=C(C=C3C(=C2)CC(N3S(=O)(=O)CC(=O)O)/C=C/C4=CC(=C(N)N)C=CC4=O)Cl.Cl.Cl

InChI

InChI=1S/C26H30ClN5O6S.2ClH/c1-15(28)31-8-6-20(7-9-31)38-24-12-18-11-19(4-2-16-10-17(26(29)30)3-5-23(16)33)32(22(18)13-21(24)27)39(36,37)14-25(34)35;;/h2-5,10,12-13,19-20,28H,6-9,11,14,29-30H2,1H3,(H,34,35);2*1H/b4-2+,28-15?;;