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

Systemtic Name: (3S)-1-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitro-phenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitro-phenyl)piperidine-3-carboxamide CAS Name: (3S)-1-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitro-phenyl)nipecotamide Formula: C19H20ClN3O5S MolecularWeight: 437.8972

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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)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)Cl

InChI

InChI=1S/C19H20ClN3O5S/c1-13-17(5-2-6-18(13)23(25)26)21-19(24)14-4-3-11-22(12-14)29(27,28)16-9-7-15(20)8-10-16/h2,5-10,14H,3-4,11-12H2,1H3,(H,21,24)/t14-/m0/s1