N-[(3-aminocarbonylphenyl)methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(3-aminocarbonylphenyl)methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(3-carbamoylphenyl)methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(3-carbamoylphenyl)methyl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(3-carbamoylphenyl)methyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-carbamoylbenzyl)-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)NCC3=CC=CC(=C3)C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C21H24N4O6S/c1-14-5-6-18(25(28)29)12-19(14)32(30,31)24-9-7-16(8-10-24)21(27)23-13-15-3-2-4-17(11-15)20(22)26/h2-6,11-12,16H,7-10,13H2,1H3,(H2,22,26)(H,23,27)