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

Systemtic Name: butyl 2-[2-methyl-5-(4-methylsulfonylphenyl)-1-phenyl-pyrrol-3-yl]ethanoate Openeye Name: butyl 2-[2-methyl-5-(4-methylsulfonylphenyl)-1-phenyl-pyrrol-3-yl]acetate CAS Name: 2-[2-methyl-5-(4-methylsulfonylphenyl)-1-phenyl-3-pyrrolyl]acetic acid butyl ester IUPAC Name: butyl 2-[2-methyl-5-(4-methylsulfonylphenyl)-1-phenylpyrrol-3-yl]acetate Traditional Name: 2-[5-(4-mesylphenyl)-2-methyl-1-phenyl-pyrrol-3-yl]acetic acid butyl ester Formula: C24H27NO4S MolecularWeight: 425.54048

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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=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO4S/c1-4-5-15-29-24(26)17-20-16-23(19-11-13-22(14-12-19)30(3,27)28)25(18(20)2)21-9-7-6-8-10-21/h6-14,16H,4-5,15,17H2,1-3H3