butyl 2-[1-(4-methoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethanoate

Systemtic Name: butyl 2-[1-(4-methoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethanoate Openeye Name: butyl 2-[1-(4-methoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]acetate CAS Name: 2-[1-(4-methoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)-3-pyrrolyl]acetic acid butyl ester IUPAC Name: butyl 2-[1-(4-methoxyphenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]acetate Traditional Name: 2-[5-(4-mesylphenyl)-1-(4-methoxyphenyl)-2-methyl-pyrrol-3-yl]acetic acid butyl ester Formula: C25H29NO5S MolecularWeight: 455.56646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO5S/c1-5-6-15-31-25(27)17-20-16-24(19-7-13-23(14-8-19)32(4,28)29)26(18(20)2)21-9-11-22(30-3)12-10-21/h7-14,16H,5-6,15,17H2,1-4H3