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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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