methyl 4-(3,4-dichlorophenyl)-2,5-dimethyl-1-(phenylsulfonyl)pyrrole-3-carboxylate

Systemtic Name: methyl 4-(3,4-dichlorophenyl)-2,5-dimethyl-1-(phenylsulfonyl)pyrrole-3-carboxylate Openeye Name: methyl 1-(benzenesulfonyl)-4-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(benzenesulfonyl)-4-(3,4-dichlorophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-(benzenesulfonyl)-4-(3,4-dichlorophenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-besyl-4-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C20H17Cl2NO4S MolecularWeight: 438.32428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1S(=O)(=O)C2=CC=CC=C2)C)C(=O)OC)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C(=C(N1S(=O)(=O)C2=CC=CC=C2)C)C(=O)OC)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H17Cl2NO4S/c1-12-18(14-9-10-16(21)17(22)11-14)19(20(24)27-3)13(2)23(12)28(25,26)15-7-5-4-6-8-15/h4-11H,1-3H3