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

Systemtic Name: 3-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]-3-nitro-benzenesulfonamide CAS Name: 3-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]-3-nitrobenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-3-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)22-10-5-9-21(17-22)28(29)30)24(23-11-6-16-33-23)27-14-12-26(13-15-27)18-20-7-3-2-4-8-20/h2-11,16-17,19,24-25H,12-15,18H2,1H3