4-[2-(4-methylpiperazin-1-yl)ethanoyl-phenyl-amino]benzenesulfonic acid dihydrochloride

Systemtic Name: 4-[2-(4-methylpiperazin-1-yl)ethanoyl-phenyl-amino]benzenesulfonic acid dihydrochloride Openeye Name: 4-(N-[2-(4-methylpiperazin-1-yl)acetyl]anilino)benzenesulfonic acid dihydrochloride CAS Name: 4-(N-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]anilino)benzenesulfonic acid dihydrochloride IUPAC Name: 4-(N-[2-(4-methylpiperazin-1-yl)acetyl]anilino)benzenesulfonic acid dihydrochloride Traditional Name: 4-(N-[2-(4-methylpiperazino)acetyl]anilino)besylic acid dihydrochloride Formula: C19H25Cl2N3O4S MolecularWeight: 462.3905

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)N(C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O.Cl.Cl

Isomeric SMILES

CN1CCN(CC1)CC(=O)N(C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O.Cl.Cl

InChI

InChI=1S/C19H23N3O4S.2ClH/c1-20-11-13-21(14-12-20)15-19(23)22(16-5-3-2-4-6-16)17-7-9-18(10-8-17)27(24,25)26;;/h2-10H,11-15H2,1H3,(H,24,25,26);2*1H