[1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-oxidanylidene-propan-2-yl] 4-[(5-tert-butyl-2,3-dimethyl-phenyl)sulfonylamino]benzoate

Systemtic Name: [1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-oxidanylidene-propan-2-yl] 4-[(5-tert-butyl-2,3-dimethyl-phenyl)sulfonylamino]benzoate Openeye Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-methyl-2-oxo-ethyl] 4-[(5-tert-butyl-2,3-dimethyl-phenyl)sulfonylamino]benzoate CAS Name: 4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]benzoic acid [1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-oxopropan-2-yl] 4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(5-tert-butyl-2,3-dimethyl-phenyl)sulfonylamino]benzoic acid [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C34H38N2O5S MolecularWeight: 586.74092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(C)OC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC(=CC(=C4C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(C)OC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC(=CC(=C4C)C)C(C)(C)C

InChI

InChI=1S/C34H38N2O5S/c1-21-18-27(34(6,7)8)20-31(23(21)3)42(39,40)35-28-16-14-26(15-17-28)33(38)41-25(5)32(37)30-19-22(2)36(24(30)4)29-12-10-9-11-13-29/h9-20,25,35H,1-8H3