methyl 3-[(4-chlorophenyl)sulfonylmethyl]-4-pyrrol-1-yl-benzoate

Systemtic Name: methyl 3-[(4-chlorophenyl)sulfonylmethyl]-4-pyrrol-1-yl-benzoate Openeye Name: methyl 3-[(4-chlorophenyl)sulfonylmethyl]-4-pyrrol-1-yl-benzoate CAS Name: 3-[(4-chlorophenyl)sulfonylmethyl]-4-(1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(4-chlorophenyl)sulfonylmethyl]-4-pyrrol-1-ylbenzoate Traditional Name: 3-[(4-chlorophenyl)sulfonylmethyl]-4-pyrrol-1-yl-benzoic acid methyl ester Formula: C19H16ClNO4S MolecularWeight: 389.85264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2C=CC=C2)CS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2C=CC=C2)CS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16ClNO4S/c1-25-19(22)14-4-9-18(21-10-2-3-11-21)15(12-14)13-26(23,24)17-7-5-16(20)6-8-17/h2-12H,13H2,1H3