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

Systemtic Name: (3S)-2-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3S/c1-12-7-8-16(9-13(12)2)24(22,23)20-11-15-6-4-3-5-14(15)10-17(20)18(19)21/h3-9,17H,10-11H2,1-2H3,(H2,19,21)/t17-/m0/s1