N-(3-chloranyl-4-methoxy-phenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)OC)Cl

InChI

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