[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate

Systemtic Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate Openeye Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-[[(1R)-1-methylpropyl]sulfamoyl]benzoate CAS Name: 4-[[(2R)-butan-2-yl]sulfamoyl]benzoic acid [2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate Traditional Name: 4-[[(1R)-1-methylpropyl]sulfamoyl]benzoic acid [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC)C

Isomeric SMILES

CC[C@@H](C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC)C

InChI

InChI=1S/C21H28N2O5S/c1-6-14(3)22-29(26,27)18-10-8-17(9-11-18)21(25)28-13-20(24)19-12-15(4)23(7-2)16(19)5/h8-12,14,22H,6-7,13H2,1-5H3/t14-/m1/s1