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

Systemtic Name: 7-[5-[(1-ethanimidoylpiperidin-4-yl)-methyl-amino]-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carbonitrile trihydrochloride Openeye Name: 7-[5-[(1-ethanimidoyl-4-piperidyl)-methyl-amino]-1-ethylsulfonyl-indolin-2-yl]naphthalene-2-carbonitrile trihydrochloride CAS Name: 7-[1-ethylsulfonyl-5-[[1-(1-iminoethyl)-4-piperidinyl]-methylamino]-2,3-dihydroindol-2-yl]-2-naphthalenecarbonitrile trihydrochloride IUPAC Name: 7-[5-[(1-ethanimidoylpiperidin-4-yl)-methylamino]-1-ethylsulfonyl-2,3-dihydroindol-2-yl]naphthalene-2-carbonitrile trihydrochloride Traditional Name: 7-[5-[(1-acetimidoyl-4-piperidyl)-methyl-amino]-1-esyl-indolin-2-yl]naphthalene-2-carbonitrile trihydrochloride Formula: C29H36Cl3N5O2S MolecularWeight: 625.05244

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C(CC2=C1C=CC(=C2)N(C)C3CCN(CC3)C(=N)C)C4=CC5=C(C=CC(=C5)C#N)C=C4.Cl.Cl.Cl

Isomeric SMILES

CCS(=O)(=O)N1C(CC2=C1C=CC(=C2)N(C)C3CCN(CC3)C(=N)C)C4=CC5=C(C=CC(=C5)C#N)C=C4.Cl.Cl.Cl

InChI

InChI=1S/C29H33N5O2S.3ClH/c1-4-37(35,36)34-28-10-9-27(32(3)26-11-13-33(14-12-26)20(2)31)17-25(28)18-29(34)23-8-7-22-6-5-21(19-30)15-24(22)16-23;;;/h5-10,15-17,26,29,31H,4,11-14,18H2,1-3H3;3*1H