(3S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-[3-[(cyclopropylamino)-oxomethyl]phenyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC=CC(=C4)C(=O)NC5CC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)NC4=CC=CC(=C4)C(=O)NC5CC5

InChI

InChI=1S/C27H27N3O4S/c1-18-9-13-24(14-10-18)35(33,34)30-17-21-6-3-2-5-19(21)16-25(30)27(32)29-23-8-4-7-20(15-23)26(31)28-22-11-12-22/h2-10,13-15,22,25H,11-12,16-17H2,1H3,(H,28,31)(H,29,32)/t25-/m0/s1