N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(4-methyl-3-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)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])S(=O)(=O)N4CCCCC4

InChI

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