N-methyl-4-nitro-N-[4-oxidanylidene-4-[4-(phenylmethyl)piperidin-1-yl]butyl]benzenesulfonamide

Systemtic Name: N-methyl-4-nitro-N-[4-oxidanylidene-4-[4-(phenylmethyl)piperidin-1-yl]butyl]benzenesulfonamide Openeye Name: N-[4-(4-benzyl-1-piperidyl)-4-oxo-butyl]-N-methyl-4-nitro-benzenesulfonamide CAS Name: N-methyl-4-nitro-N-[4-oxo-4-[4-(phenylmethyl)-1-piperidinyl]butyl]benzenesulfonamide IUPAC Name: N-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-N-methyl-4-nitrobenzenesulfonamide Traditional Name: N-[4-(4-benzylpiperidino)-4-keto-butyl]-N-methyl-4-nitro-benzenesulfonamide Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)N1CCC(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC(=O)N1CCC(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O5S/c1-24(32(30,31)22-11-9-21(10-12-22)26(28)29)15-5-8-23(27)25-16-13-20(14-17-25)18-19-6-3-2-4-7-19/h2-4,6-7,9-12,20H,5,8,13-18H2,1H3