N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-1-(2-nitrophenyl)isonipecotamide Formula: C24H30N4O5S MolecularWeight: 486.5838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O5S/c1-18-9-10-20(34(32,33)27-13-5-2-6-14-27)17-21(18)25-24(29)19-11-15-26(16-12-19)22-7-3-4-8-23(22)28(30)31/h3-4,7-10,17,19H,2,5-6,11-16H2,1H3,(H,25,29)