N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(2-nitrophenyl)isonipecotamide Formula: C24H30N4O5S MolecularWeight: 486.5838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O5S/c29-24(19-12-16-26(17-13-19)22-10-3-4-11-23(22)28(30)31)25-20-8-7-9-21(18-20)34(32,33)27-14-5-1-2-6-15-27/h3-4,7-11,18-19H,1-2,5-6,12-17H2,(H,25,29)