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

Systemtic Name: ethyl 4-[[4-methyl-1-(4-methylphenyl)sulfonyl-pyrrol-3-yl]-phenyl-methyl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C28H27NO4S MolecularWeight: 473.58328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CN(C=C3C)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CN(C=C3C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H27NO4S/c1-4-33-28(30)24-14-12-23(13-15-24)27(22-8-6-5-7-9-22)26-19-29(18-21(26)3)34(31,32)25-16-10-20(2)11-17-25/h5-19,27H,4H2,1-3H3