4-[[5-(4-methylpiperazin-1-yl)-1-phenylsulfanyl-pentan-2-yl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[5-(4-methylpiperazin-1-yl)-1-phenylsulfanyl-pentan-2-yl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[4-(4-methylpiperazin-1-yl)-1-(phenylsulfanylmethyl)butyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[5-(4-methyl-1-piperazinyl)-1-(phenylthio)pentan-2-yl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[5-(4-methylpiperazin-1-yl)-1-phenylsulfanylpentan-2-yl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[4-(4-methylpiperazino)-1-[(phenylthio)methyl]butyl]amino]-3-nitro-benzenesulfonamide Formula: C22H31N5O4S2 MolecularWeight: 493.64264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O4S2/c1-25-12-14-26(15-13-25)11-5-6-18(17-32-19-7-3-2-4-8-19)24-21-10-9-20(33(23,30)31)16-22(21)27(28)29/h2-4,7-10,16,18,24H,5-6,11-15,17H2,1H3,(H2,23,30,31)