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

Systemtic Name: (3S)-2-(2-methyl-5-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(2-methyl-5-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(2-methyl-5-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5S/c1-11-6-7-14(20(22)23)9-16(11)26(24,25)19-10-13-5-3-2-4-12(13)8-15(19)17(18)21/h2-7,9,15H,8,10H2,1H3,(H2,18,21)/t15-/m0/s1