[1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-(5,6-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(5,6-dimethyl-3-benzofuranyl)acetic acid [1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(5,6-dimethylbenzofuran-3-yl)acetic acid [2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C25H28N2O6S MolecularWeight: 484.56462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)OC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)OC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C25H28N2O6S/c1-16-12-22-19(15-32-23(22)13-17(16)2)14-24(28)33-18(3)25(29)26-20-6-8-21(9-7-20)34(30,31)27-10-4-5-11-27/h6-9,12-13,15,18H,4-5,10-11,14H2,1-3H3,(H,26,29)