ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-[(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]ethyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-[(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[2-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-hydroxy-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-(2-hydroxy-5-pyrrolidinosulfonyl-anilino)-2-keto-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)O)C

InChI

InChI=1S/C21H27N3O6S/c1-4-30-21(27)17-11-14(2)24(15(17)3)13-20(26)22-18-12-16(7-8-19(18)25)31(28,29)23-9-5-6-10-23/h7-8,11-12,25H,4-6,9-10,13H2,1-3H3,(H,22,26)