(3S)-2-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN4CC5=CC=CC=C5CC4C(=O)N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN4CC5=CC=CC=C5C[C@H]4C(=O)N

InChI

InChI=1S/C25H31N5O3S/c1-2-30-22-11-10-20(34(32,33)29-12-6-3-7-13-29)15-21(22)27-24(30)17-28-16-19-9-5-4-8-18(19)14-23(28)25(26)31/h4-5,8-11,15,23H,2-3,6-7,12-14,16-17H2,1H3,(H2,26,31)/t23-/m0/s1