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

Systemtic Name: N-[1-(3-chlorophenyl)propyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(3-chlorophenyl)propyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(3-chlorophenyl)propyl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(3-chlorophenyl)propyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(3-chlorophenyl)propyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C22H26ClN3O5S MolecularWeight: 479.97694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O5S/c1-3-20(17-5-4-6-18(23)13-17)24-22(27)16-9-11-25(12-10-16)32(30,31)21-14-19(26(28)29)8-7-15(21)2/h4-8,13-14,16,20H,3,9-12H2,1-2H3,(H,24,27)