2-nitro-N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]benzenesulfonamide

Systemtic Name: 2-nitro-N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]-2-nitro-benzenesulfonamide CAS Name: 2-nitro-N-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide IUPAC Name: N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-2-nitro-benzenesulfonamide Formula: C24H28N4O4S2 MolecularWeight: 500.63352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H28N4O4S2/c1-19(25-34(31,32)23-12-6-5-10-21(23)28(29)30)24(22-11-7-17-33-22)27-15-13-26(14-16-27)18-20-8-3-2-4-9-20/h2-12,17,19,24-25H,13-16,18H2,1H3