methyl 3-[[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: methyl 3-[[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: methyl 3-[[2-(2-methyl-5-morpholinosulfonyl-anilino)-2-oxo-ethyl]amino]benzoate CAS Name: 3-[[2-[2-methyl-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate Traditional Name: 3-[[2-keto-2-(2-methyl-5-morpholinosulfonyl-anilino)ethyl]amino]benzoic acid methyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CNC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CNC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H25N3O6S/c1-15-6-7-18(31(27,28)24-8-10-30-11-9-24)13-19(15)23-20(25)14-22-17-5-3-4-16(12-17)21(26)29-2/h3-7,12-13,22H,8-11,14H2,1-2H3,(H,23,25)