methyl 1-benzamido-2,5-dimethyl-4-(4-methylphenyl)sulfonyl-pyrrole-3-carboxylate

Systemtic Name: methyl 1-benzamido-2,5-dimethyl-4-(4-methylphenyl)sulfonyl-pyrrole-3-carboxylate Openeye Name: methyl 1-benzamido-2,5-dimethyl-4-(p-tolylsulfonyl)pyrrole-3-carboxylate CAS Name: 1-benzamido-2,5-dimethyl-4-(4-methylphenyl)sulfonyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzamido-2,5-dimethyl-4-(4-methylphenyl)sulfonylpyrrole-3-carboxylate Traditional Name: 1-benzamido-2,5-dimethyl-4-tosyl-pyrrole-3-carboxylic acid methyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C(=C2C(=O)OC)C)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C(=C2C(=O)OC)C)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H22N2O5S/c1-14-10-12-18(13-11-14)30(27,28)20-16(3)24(15(2)19(20)22(26)29-4)23-21(25)17-8-6-5-7-9-17/h5-13H,1-4H3,(H,23,25)