[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-chlorophenyl)sulfonylamino]propanoic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-chlorophenyl)sulfonylamino]propionic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H23ClN2O5S/c1-4-11-23-14(2)12-18(15(23)3)19(24)13-28-20(25)9-10-22-29(26,27)17-7-5-16(21)6-8-17/h4-8,12,22H,1,9-11,13H2,2-3H3