[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-mesitylsulfonylpyrrolidine-2-carboxylic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N)C

InChI

InChI=1S/C21H25N3O6S2/c1-12-9-13(2)18(14(3)10-12)32(28,29)24-7-4-5-16(24)21(27)30-11-17(25)23-20-15(19(22)26)6-8-31-20/h6,8-10,16H,4-5,7,11H2,1-3H3,(H2,22,26)(H,23,25)