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

Systemtic Name: 4-[[1-(4-methylpiperazin-1-yl)-3-phenylsulfanyl-propan-2-yl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[1-[(4-methylpiperazin-1-yl)methyl]-2-phenylsulfanyl-ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[1-(4-methyl-1-piperazinyl)-3-(phenylthio)propan-2-yl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[1-(4-methylpiperazin-1-yl)-3-phenylsulfanylpropan-2-yl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[1-[(4-methylpiperazino)methyl]-2-(phenylthio)ethyl]amino]-3-nitro-benzenesulfonamide Formula: C20H27N5O4S2 MolecularWeight: 465.58948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O4S2/c1-23-9-11-24(12-10-23)14-16(15-30-17-5-3-2-4-6-17)22-19-8-7-18(31(21,28)29)13-20(19)25(26)27/h2-8,13,16,22H,9-12,14-15H2,1H3,(H2,21,28,29)