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

Systemtic Name: N-(4-acetamidophenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-acetamidophenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-acetamidophenyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-acetamidophenyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-acetamidophenyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C21H24N4O6S MolecularWeight: 460.50346

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O6S/c1-14-3-8-19(25(28)29)13-20(14)32(30,31)24-11-9-16(10-12-24)21(27)23-18-6-4-17(5-7-18)22-15(2)26/h3-8,13,16H,9-12H2,1-2H3,(H,22,26)(H,23,27)