N-methyl-3-nitro-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-[4-(3-thienylmethyl)piperazin-1-yl]benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[4-(3-thiophenylmethyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N-methyl-3-nitro-4-[4-(3-thenyl)piperazino]benzenesulfonamide Formula: C16H20N4O4S2 MolecularWeight: 396.4844

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CSC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O4S2/c1-17-26(23,24)14-2-3-15(16(10-14)20(21)22)19-7-5-18(6-8-19)11-13-4-9-25-12-13/h2-4,9-10,12,17H,5-8,11H2,1H3