4-[[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[2-(4-methylpiperazin-1-yl)-2-(2-thienyl)ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[2-(4-methyl-1-piperazinyl)-2-thiophen-2-ylethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[2-(4-methylpiperazino)-2-(2-thienyl)ethyl]amino]-3-nitro-benzenesulfonamide Formula: C17H23N5O4S2 MolecularWeight: 425.52562

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CN1CCN(CC1)C(CNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C17H23N5O4S2/c1-20-6-8-21(9-7-20)16(17-3-2-10-27-17)12-19-14-5-4-13(28(18,25)26)11-15(14)22(23)24/h2-5,10-11,16,19H,6-9,12H2,1H3,(H2,18,25,26)