[2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)benzoate

Systemtic Name: [2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)benzoate Openeye Name: [2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 4-(dimethylamino)benzoate CAS Name: 4-(dimethylamino)benzoic acid [2-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate Traditional Name: 4-(dimethylamino)benzoic acid [2-keto-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl] ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N(C)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N(C)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H27N3O6S/c1-16-4-7-18(14-20(16)32(28,29)25-10-12-30-13-11-25)23-21(26)15-31-22(27)17-5-8-19(9-6-17)24(2)3/h4-9,14H,10-13,15H2,1-3H3,(H,23,26)