2-nitro-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]-N-phenyl-benzenesulfonamide

Systemtic Name: 2-nitro-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]-N-phenyl-benzenesulfonamide Openeye Name: N-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-2-nitro-N-phenyl-benzenesulfonamide CAS Name: 2-nitro-N-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-N-phenylbenzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-nitro-N-phenylbenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperidino)-2-keto-ethyl]-2-nitro-N-phenyl-benzenesulfonamide Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O5S/c30-26(27-17-15-22(16-18-27)19-21-9-3-1-4-10-21)20-28(23-11-5-2-6-12-23)35(33,34)25-14-8-7-13-24(25)29(31)32/h1-14,22H,15-20H2