phenyl 3-(3-chloranylpiperazin-1-yl)-4-(methylsulfanylsulfonylamino)benzenesulfonate

Systemtic Name: phenyl 3-(3-chloranylpiperazin-1-yl)-4-(methylsulfanylsulfonylamino)benzenesulfonate Openeye Name: phenyl 3-(3-chloropiperazin-1-yl)-4-(methylsulfanylsulfonylamino)benzenesulfonate CAS Name: 3-(3-chloro-1-piperazinyl)-4-[(methylthio)sulfonylamino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(3-chloropiperazin-1-yl)-4-(methylsulfanylsulfonylamino)benzenesulfonate Traditional Name: 3-(3-chloropiperazino)-4-[(methylthio)sulfonylamino]benzenesulfonic acid phenyl ester Formula: C17H20ClN3O5S3 MolecularWeight: 478.0058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)Cl

Isomeric SMILES

CSS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)Cl

InChI

InChI=1S/C17H20ClN3O5S3/c1-27-29(24,25)20-15-8-7-14(11-16(15)21-10-9-19-17(18)12-21)28(22,23)26-13-5-3-2-4-6-13/h2-8,11,17,19-20H,9-10,12H2,1H3