[1-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: [1-methyl-2-(4-morpholinosulfonylanilino)-2-oxo-ethyl] 2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 2,3-dihydro-1-benzothiophene-2-carboxylic acid [1-[4-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 2,3-dihydrobenzothiophene-2-carboxylic acid [2-keto-1-methyl-2-(4-morpholinosulfonylanilino)ethyl] ester Formula: C22H24N2O6S2 MolecularWeight: 476.56576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3CC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3CC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N2O6S2/c1-15(30-22(26)20-14-16-4-2-3-5-19(16)31-20)21(25)23-17-6-8-18(9-7-17)32(27,28)24-10-12-29-13-11-24/h2-9,15,20H,10-14H2,1H3,(H,23,25)