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

Systemtic Name: N-(4-acetamidophenyl)-1-(2-chloranyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-acetamidophenyl)-1-(2-chloro-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-acetamidophenyl)-1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-acetamidophenyl)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-acetamidophenyl)-1-(2-chloro-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C20H21ClN4O6S MolecularWeight: 480.92194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H21ClN4O6S/c1-13(26)22-15-2-4-16(5-3-15)23-20(27)14-8-10-24(11-9-14)32(30,31)19-12-17(25(28)29)6-7-18(19)21/h2-7,12,14H,8-11H2,1H3,(H,22,26)(H,23,27)