7-[5-[(1-ethanimidoylpiperidin-4-yl)methyl]-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carbonitrile dihydrochloride

Systemtic Name: 7-[5-[(1-ethanimidoylpiperidin-4-yl)methyl]-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carbonitrile dihydrochloride Openeye Name: 7-[5-[(1-ethanimidoyl-4-piperidyl)methyl]-1-ethylsulfonyl-indolin-2-yl]naphthalene-2-carbonitrile dihydrochloride CAS Name: 7-[1-ethylsulfonyl-5-[[1-(1-iminoethyl)-4-piperidinyl]methyl]-2,3-dihydroindol-2-yl]-2-naphthalenecarbonitrile dihydrochloride IUPAC Name: 7-[5-[(1-ethanimidoylpiperidin-4-yl)methyl]-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carbonitrile dihydrochloride Traditional Name: 7-[5-[(1-acetimidoyl-4-piperidyl)methyl]-1-esyl-indolin-2-yl]naphthalene-2-carbonitrile dihydrochloride Formula: C29H34Cl2N4O2S MolecularWeight: 573.57686

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C(CC2=C1C=CC(=C2)CC3CCN(CC3)C(=N)C)C4=CC5=C(C=CC(=C5)C#N)C=C4.Cl.Cl

Isomeric SMILES

CCS(=O)(=O)N1C(CC2=C1C=CC(=C2)CC3CCN(CC3)C(=N)C)C4=CC5=C(C=CC(=C5)C#N)C=C4.Cl.Cl

InChI

InChI=1S/C29H32N4O2S.2ClH/c1-3-36(34,35)33-28-9-5-22(14-21-10-12-32(13-11-21)20(2)31)15-27(28)18-29(33)25-8-7-24-6-4-23(19-30)16-26(24)17-25;;/h4-9,15-17,21,29,31H,3,10-14,18H2,1-2H3;2*1H