[1-[[4-[(4-methylphenyl)sulfonyl-phenyl-amino]phenyl]methyl]-5-oxidanylidene-pyrrolidin-3-yl] methanesulfonate

Systemtic Name: [1-[[4-[(4-methylphenyl)sulfonyl-phenyl-amino]phenyl]methyl]-5-oxidanylidene-pyrrolidin-3-yl] methanesulfonate Openeye Name: [5-oxo-1-[[4-[N-(p-tolylsulfonyl)anilino]phenyl]methyl]pyrrolidin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [1-[[4-(N-(4-methylphenyl)sulfonylanilino)phenyl]methyl]-5-oxo-3-pyrrolidinyl] ester IUPAC Name: [1-[[4-(N-(4-methylphenyl)sulfonylanilino)phenyl]methyl]-5-oxopyrrolidin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [5-keto-1-[4-(N-tosylanilino)benzyl]pyrrolidin-3-yl] ester Formula: C25H26N2O6S2 MolecularWeight: 514.61374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2)C3=CC=C(C=C3)CN4CC(CC4=O)OS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2)C3=CC=C(C=C3)CN4CC(CC4=O)OS(=O)(=O)C

InChI

InChI=1S/C25H26N2O6S2/c1-19-8-14-24(15-9-19)35(31,32)27(21-6-4-3-5-7-21)22-12-10-20(11-13-22)17-26-18-23(16-25(26)28)33-34(2,29)30/h3-15,23H,16-18H2,1-2H3