[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(1-pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxylic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-pyrrolidinosulfonyl-1H-pyrrole-2-carboxylic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=CC(=CN2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=CC(=CN2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C20H25N3O5S/c1-3-15-8-6-7-14(2)19(15)22-18(24)13-28-20(25)17-11-16(12-21-17)29(26,27)23-9-4-5-10-23/h6-8,11-12,21H,3-5,9-10,13H2,1-2H3,(H,22,24)