7-[(2S)-5-(1-ethanimidoylpiperidin-4-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide dihydrochloride

Systemtic Name: 7-[(2S)-5-(1-ethanimidoylpiperidin-4-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide dihydrochloride Openeye Name: 7-[(2S)-5-[(1-ethanimidoyl-4-piperidyl)oxy]-1-ethylsulfonyl-indolin-2-yl]naphthalene-2-carboxamidine dihydrochloride CAS Name: 7-[(2S)-1-ethylsulfonyl-5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2,3-dihydroindol-2-yl]-2-naphthalenecarboximidamide dihydrochloride IUPAC Name: 7-[(2S)-5-(1-ethanimidoylpiperidin-4-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carboximidamide dihydrochloride Traditional Name: 7-[(2S)-5-[(1-acetimidoyl-4-piperidyl)oxy]-1-esyl-indolin-2-yl]-2-naphthamidine dihydrochloride Formula: C28H35Cl2N5O3S MolecularWeight: 592.5802

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C(CC2=C1C=CC(=C2)OC3CCN(CC3)C(=N)C)C4=CC5=C(C=C4)C=CC(=C5)C(=N)N.Cl.Cl

Isomeric SMILES

CCS(=O)(=O)N1[C@@H](CC2=C1C=CC(=C2)OC3CCN(CC3)C(=N)C)C4=CC5=C(C=C4)C=CC(=C5)C(=N)N.Cl.Cl

InChI

InChI=1S/C28H33N5O3S.2ClH/c1-3-37(34,35)33-26-9-8-25(36-24-10-12-32(13-11-24)18(2)29)16-23(26)17-27(33)20-6-4-19-5-7-21(28(30)31)15-22(19)14-20;;/h4-9,14-16,24,27,29H,3,10-13,17H2,1-2H3,(H3,30,31);2*1H/t27-;;/m0../s1