1-(2-chloranyl-5-nitro-phenyl)sulfonyl-N-(2-methoxy-5-methyl-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)sulfonyl-N-(2-methoxy-5-methyl-phenyl)piperidine-4-carboxamide Openeye Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-(2-methoxy-5-methyl-phenyl)piperidine-4-carboxamide CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-(2-methoxy-5-methyl-phenyl)isonipecotamide Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

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