7-[5-(1-ethanimidoylazetidin-3-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide dihydrochloride

Systemtic Name: 7-[5-(1-ethanimidoylazetidin-3-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide dihydrochloride Openeye Name: 7-[5-(1-ethanimidoylazetidin-3-yl)oxy-1-ethylsulfonyl-indolin-2-yl]naphthalene-2-carboxamidine dihydrochloride CAS Name: 7-[1-ethylsulfonyl-5-[[1-(1-iminoethyl)-3-azetidinyl]oxy]-2,3-dihydroindol-2-yl]-2-naphthalenecarboximidamide dihydrochloride IUPAC Name: 7-[5-(1-ethanimidoylazetidin-3-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide dihydrochloride Traditional Name: 7-[5-(1-acetimidoylazetidin-3-yl)oxy-1-esyl-indolin-2-yl]-2-naphthamidine dihydrochloride Formula: C26H31Cl2N5O3S MolecularWeight: 564.52704

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C(CC2=C1C=CC(=C2)OC3CN(C3)C(=N)C)C4=CC5=C(C=C4)C=CC(=C5)C(=N)N.Cl.Cl

Isomeric SMILES

CCS(=O)(=O)N1C(CC2=C1C=CC(=C2)OC3CN(C3)C(=N)C)C4=CC5=C(C=C4)C=CC(=C5)C(=N)N.Cl.Cl

InChI

InChI=1S/C26H29N5O3S.2ClH/c1-3-35(32,33)31-24-9-8-22(34-23-14-30(15-23)16(2)27)12-21(24)13-25(31)18-6-4-17-5-7-19(26(28)29)11-20(17)10-18;;/h4-12,23,25,27H,3,13-15H2,1-2H3,(H3,28,29);2*1H