(3R)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-N-(2-methyl-3-nitro-phenyl)piperidine-3-carboxamide

Systemtic Name: (3R)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-N-(2-methyl-3-nitro-phenyl)piperidine-3-carboxamide Openeye Name: (3R)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-N-(2-methyl-3-nitro-phenyl)piperidine-3-carboxamide CAS Name: (3R)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)-3-piperidinecarboxamide IUPAC Name: (3R)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide Traditional Name: (3R)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-N-(2-methyl-3-nitro-phenyl)nipecotamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC[C@H](C2)C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O6S/c1-14-9-10-19(30-3)20(12-14)31(28,29)23-11-5-6-16(13-23)21(25)22-17-7-4-8-18(15(17)2)24(26)27/h4,7-10,12,16H,5-6,11,13H2,1-3H3,(H,22,25)/t16-/m1/s1