[4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 1H-pyrrole-2-carboxylate Openeye Name: [4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [4-[(2,5-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(2,5-dimethylphenyl)sulfonyl-methylamino]phenyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=CC=CN3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=CC=CN3

InChI

InChI=1S/C20H20N2O4S/c1-14-6-7-15(2)19(13-14)27(24,25)22(3)16-8-10-17(11-9-16)26-20(23)18-5-4-12-21-18/h4-13,21H,1-3H3