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

Systemtic Name: (3S)-2-(3-ethanoylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(3-acetylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(3-acetylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(3-acetylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(3-acetylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-12(21)13-7-4-8-16(9-13)25(23,24)20-11-15-6-3-2-5-14(15)10-17(20)18(19)22/h2-9,17H,10-11H2,1H3,(H2,19,22)/t17-/m0/s1