ethyl 1-[2-[(3-cyclopentylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-[(3-cyclopentylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(3-cyclopentylsulfonylanilino)-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[2-(3-cyclopentylsulfonylanilino)-2-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-cyclopentylsulfonylanilino)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-(3-cyclopentylsulfonylanilino)-2-keto-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)C3CCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)C3CCCC3)C

InChI

InChI=1S/C22H28N2O5S/c1-4-29-22(26)20-12-15(2)24(16(20)3)14-21(25)23-17-8-7-11-19(13-17)30(27,28)18-9-5-6-10-18/h7-8,11-13,18H,4-6,9-10,14H2,1-3H3,(H,23,25)