2,4-dinitro-N-phenyl-N-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]benzenesulfonamide

Systemtic Name: 2,4-dinitro-N-phenyl-N-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]benzenesulfonamide Openeye Name: N-[3-(4-benzyl-1-piperidyl)propyl]-2,4-dinitro-N-phenyl-benzenesulfonamide CAS Name: 2,4-dinitro-N-phenyl-N-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]benzenesulfonamide IUPAC Name: N-[3-(4-benzylpiperidin-1-yl)propyl]-2,4-dinitro-N-phenylbenzenesulfonamide Traditional Name: N-[3-(4-benzylpiperidino)propyl]-2,4-dinitro-N-phenyl-benzenesulfonamide Formula: C27H30N4O6S MolecularWeight: 538.6153

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCCN(C3=CC=CC=C3)S(=O)(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCCN(C3=CC=CC=C3)S(=O)(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H30N4O6S/c32-30(33)25-12-13-27(26(21-25)31(34)35)38(36,37)29(24-10-5-2-6-11-24)17-7-16-28-18-14-23(15-19-28)20-22-8-3-1-4-9-22/h1-6,8-13,21,23H,7,14-20H2