(3S)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-N-(2-methyl-3-nitro-phenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-N-(2-methyl-3-nitro-phenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-(2-methyl-3-nitro-phenyl)piperidine-3-carboxamide CAS Name: (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-(2-methyl-3-nitro-phenyl)nipecotamide Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C20H22ClN3O6S/c1-13-17(6-3-7-18(13)24(26)27)22-20(25)14-5-4-10-23(12-14)31(28,29)15-8-9-19(30-2)16(21)11-15/h3,6-9,11,14H,4-5,10,12H2,1-2H3,(H,22,25)/t14-/m0/s1