(3S)-2-(5-acetamido-2-methyl-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(5-acetamido-2-methyl-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(5-acetamido-2-methyl-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(5-acetamido-2-methylphenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(5-acetamido-2-methylphenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(5-acetamido-2-methyl-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-13-8-9-17(22-14(2)24)11-19(13)28(26,27)23-12-16-7-5-4-6-15(16)10-18(23)20(25)21-3/h4-9,11,18H,10,12H2,1-3H3,(H,21,25)(H,22,24)/t18-/m0/s1