phenyl 4-[5-methyl-2-[(phenylmethyl)sulfonylamino]phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[5-methyl-2-[(phenylmethyl)sulfonylamino]phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(benzylsulfonylamino)-5-methyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[5-methyl-2-[(phenylmethyl)sulfonylamino]phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(benzylsulfonylamino)-5-methylphenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(benzylsulfonylamino)-5-methyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C24H27N3O5S2 MolecularWeight: 501.61828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O5S2/c1-19-12-13-22(26-33(28,29)18-20-8-4-2-5-9-20)23(16-19)27-15-14-25-24(17-27)34(30,31)32-21-10-6-3-7-11-21/h2-13,16,24-26H,14-15,17-18H2,1H3