methyl 4-[[4-methyl-1-(4-methylphenyl)sulfonyl-pyrrol-3-yl]-phenyl-methyl]benzoate

Systemtic Name: methyl 4-[[4-methyl-1-(4-methylphenyl)sulfonyl-pyrrol-3-yl]-phenyl-methyl]benzoate Openeye Name: methyl 4-[[4-methyl-1-(p-tolylsulfonyl)pyrrol-3-yl]-phenyl-methyl]benzoate CAS Name: 4-[[4-methyl-1-(4-methylphenyl)sulfonyl-3-pyrrolyl]-phenylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-phenylmethyl]benzoate Traditional Name: 4-[(4-methyl-1-tosyl-pyrrol-3-yl)-phenyl-methyl]benzoic acid methyl ester Formula: C27H25NO4S MolecularWeight: 459.5567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2)C(C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2)C(C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C27H25NO4S/c1-19-9-15-24(16-10-19)33(30,31)28-17-20(2)25(18-28)26(21-7-5-4-6-8-21)22-11-13-23(14-12-22)27(29)32-3/h4-18,26H,1-3H3