(3S)-2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)N

InChI

InChI=1S/C18H19N3O4S/c1-12(22)20-15-6-8-16(9-7-15)26(24,25)21-11-14-5-3-2-4-13(14)10-17(21)18(19)23/h2-9,17H,10-11H2,1H3,(H2,19,23)(H,20,22)/t17-/m0/s1