1-methyl-4-[3-nitro-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]phenyl]sulfonyl-piperazine

Systemtic Name: 1-methyl-4-[3-nitro-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]phenyl]sulfonyl-piperazine Openeye Name: 1-methyl-4-[3-nitro-4-[4-(3-thienylmethyl)piperazin-1-yl]phenyl]sulfonyl-piperazine CAS Name: 1-methyl-4-[3-nitro-4-[4-(3-thiophenylmethyl)-1-piperazinyl]phenyl]sulfonylpiperazine IUPAC Name: 1-methyl-4-[3-nitro-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]phenyl]sulfonylpiperazine Traditional Name: 1-methyl-4-[3-nitro-4-[4-(3-thenyl)piperazino]phenyl]sulfonyl-piperazine Formula: C20H27N5O4S2 MolecularWeight: 465.58948

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CSC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CSC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O4S2/c1-21-5-11-24(12-6-21)31(28,29)18-2-3-19(20(14-18)25(26)27)23-9-7-22(8-10-23)15-17-4-13-30-16-17/h2-4,13-14,16H,5-12,15H2,1H3