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

Systemtic Name: (3R)-N-methyl-2-(4-methyl-3-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-methyl-2-(4-methyl-3-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-methyl-2-(4-methyl-3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-methyl-2-(4-methyl-3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-methyl-2-(4-methyl-3-nitro-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-12-7-8-15(10-16(12)21(23)24)27(25,26)20-11-14-6-4-3-5-13(14)9-17(20)18(22)19-2/h3-8,10,17H,9,11H2,1-2H3,(H,19,22)/t17-/m1/s1