dimethyl 2-[2-[3-butyl-5-methylsulfonyl-2-(phenylcarbonyl)pyrrol-1-yl]ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-[3-butyl-5-methylsulfonyl-2-(phenylcarbonyl)pyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-(2-benzoyl-3-butyl-5-methylsulfonyl-pyrrol-1-yl)ethyl]propanedioate CAS Name: 2-[2-(2-benzoyl-3-butyl-5-methylsulfonyl-1-pyrrolyl)ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(2-benzoyl-3-butyl-5-methylsulfonylpyrrol-1-yl)ethyl]propanedioate Traditional Name: 2-[2-(2-benzoyl-3-butyl-5-mesyl-pyrrol-1-yl)ethyl]malonic acid dimethyl ester Formula: C23H29NO7S MolecularWeight: 463.54386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=C1)S(=O)(=O)C)CCC(C(=O)OC)C(=O)OC)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=C(N(C(=C1)S(=O)(=O)C)CCC(C(=O)OC)C(=O)OC)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H29NO7S/c1-5-6-10-17-15-19(32(4,28)29)24(14-13-18(22(26)30-2)23(27)31-3)20(17)21(25)16-11-8-7-9-12-16/h7-9,11-12,15,18H,5-6,10,13-14H2,1-4H3