4-[[4-(4-methylpiperazin-1-yl)-4-oxidanylidene-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[4-(4-methylpiperazin-1-yl)-4-oxidanylidene-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[3-(4-methylpiperazin-1-yl)-3-oxo-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[4-(4-methyl-1-piperazinyl)-4-oxo-1-(phenylthio)butan-2-yl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[4-(4-methylpiperazin-1-yl)-4-oxo-1-phenylsulfanylbutan-2-yl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[3-keto-3-(4-methylpiperazino)-1-[(phenylthio)methyl]propyl]amino]-3-nitro-benzenesulfonamide Formula: C21H27N5O5S2 MolecularWeight: 493.59958

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CC(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)CC(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O5S2/c1-24-9-11-25(12-10-24)21(27)13-16(15-32-17-5-3-2-4-6-17)23-19-8-7-18(33(22,30)31)14-20(19)26(28)29/h2-8,14,16,23H,9-13,15H2,1H3,(H2,22,30,31)