[3-(phenylsulfonylcarbamoylamino)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(phenylsulfonylcarbamoylamino)phenyl] 4-methylbenzenesulfonate Openeye Name: [3-(benzenesulfonylcarbamoylamino)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[[benzenesulfonamido(oxo)methyl]amino]phenyl] ester IUPAC Name: [3-(benzenesulfonylcarbamoylamino)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(besylcarbamoylamino)phenyl] ester Formula: C20H18N2O6S2 MolecularWeight: 446.49672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)NC(=O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)NC(=O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O6S2/c1-15-10-12-19(13-11-15)30(26,27)28-17-7-5-6-16(14-17)21-20(23)22-29(24,25)18-8-3-2-4-9-18/h2-14H,1H3,(H2,21,22,23)