[2-[(4-methyl-2-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(4-methyl-2-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: [2-(4-methyl-2-morpholinosulfonyl-anilino)-2-oxo-ethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid [2-[4-methyl-2-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2-thenoyl)pyrrolidine-2-carboxylic acid [2-keto-2-(4-methyl-2-morpholinosulfonyl-anilino)ethyl] ester Formula: C23H27N3O7S2 MolecularWeight: 521.60638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCCN2C(=O)C3=CC=CS3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCCN2C(=O)C3=CC=CS3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H27N3O7S2/c1-16-6-7-17(20(14-16)35(30,31)25-9-11-32-12-10-25)24-21(27)15-33-23(29)18-4-2-8-26(18)22(28)19-5-3-13-34-19/h3,5-7,13-14,18H,2,4,8-12,15H2,1H3,(H,24,27)