[1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [1-methyl-2-oxo-2-(4-phenoxyanilino)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [1-oxo-1-(4-phenoxyanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-keto-1-methyl-2-(4-phenoxyanilino)ethyl] ester Formula: C26H26N2O6S MolecularWeight: 494.55944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C26H26N2O6S/c1-19(25(29)27-21-11-13-23(14-12-21)34-22-7-3-2-4-8-22)33-26(30)20-9-15-24(16-10-20)35(31,32)28-17-5-6-18-28/h2-4,7-16,19H,5-6,17-18H2,1H3,(H,27,29)