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

Systemtic Name: 4-[[4-(4-methylpiperazin-1-yl)-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[3-(4-methylpiperazin-1-yl)-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[4-(4-methyl-1-piperazinyl)-1-(phenylthio)butan-2-yl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[4-(4-methylpiperazin-1-yl)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[3-(4-methylpiperazino)-1-[(phenylthio)methyl]propyl]amino]-3-nitro-benzenesulfonamide Formula: C21H29N5O4S2 MolecularWeight: 479.61606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O4S2/c1-24-11-13-25(14-12-24)10-9-17(16-31-18-5-3-2-4-6-18)23-20-8-7-19(32(22,29)30)15-21(20)26(27)28/h2-8,15,17,23H,9-14,16H2,1H3,(H2,22,29,30)