(3S)-N-(2,5-dimethylphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-(2,5-dimethylphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(2,5-dimethylphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(2,5-dimethylphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(2,5-dimethylphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(2,5-dimethylphenyl)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@@H]2CC3=CC=CC=C3CN2S(=O)(=O)C

InChI

InChI=1S/C19H22N2O3S/c1-13-8-9-14(2)17(10-13)20-19(22)18-11-15-6-4-5-7-16(15)12-21(18)25(3,23)24/h4-10,18H,11-12H2,1-3H3,(H,20,22)/t18-/m0/s1