[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-sulfamoylbenzoate

Systemtic Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-sulfamoylbenzoate Openeye Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic acid [2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl] 4-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C23H24N2O5S/c1-16-14-21(17(2)25(16)13-12-18-6-4-3-5-7-18)22(26)15-30-23(27)19-8-10-20(11-9-19)31(24,28)29/h3-11,14H,12-13,15H2,1-2H3,(H2,24,28,29)