[2-[[4-[butyl(methyl)sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-[[4-[butyl(methyl)sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-[4-[butyl(methyl)sulfamoyl]anilino]-2-keto-ethyl] ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CN2

Isomeric SMILES

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CN2

InChI

InChI=1S/C18H23N3O5S/c1-3-4-12-21(2)27(24,25)15-9-7-14(8-10-15)20-17(22)13-26-18(23)16-6-5-11-19-16/h5-11,19H,3-4,12-13H2,1-2H3,(H,20,22)