2-methyl-5-nitro-N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]benzenesulfonamide

Systemtic Name: 2-methyl-5-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-methyl-5-nitro-benzenesulfonamide CAS Name: 2-methyl-5-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-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C25H30N4O4S2 MolecularWeight: 514.6601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O4S2/c1-19-10-11-22(29(30)31)17-24(19)35(32,33)26-20(2)25(23-9-6-16-34-23)28-14-12-27(13-15-28)18-21-7-4-3-5-8-21/h3-11,16-17,20,25-26H,12-15,18H2,1-2H3