[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-chlorophenyl)sulfonyl-methylamino]acetic acid [2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetic acid [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H25ClN2O5S MolecularWeight: 440.9409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H25ClN2O5S/c1-13(2)23-14(3)10-18(15(23)4)19(24)12-28-20(25)11-22(5)29(26,27)17-8-6-16(21)7-9-17/h6-10,13H,11-12H2,1-5H3