(3S)-N-(2-benzamidoethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-(2-benzamidoethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(2-benzamidoethyl)-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(2-benzamidoethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(2-benzamidoethyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(2-benzamidoethyl)-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCCNC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)NCCNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4S/c1-19-11-13-23(14-12-19)34(32,33)29-18-22-10-6-5-9-21(22)17-24(29)26(31)28-16-15-27-25(30)20-7-3-2-4-8-20/h2-14,24H,15-18H2,1H3,(H,27,30)(H,28,31)/t24-/m0/s1