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

Systemtic Name: methyl 3-[[2-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: methyl 3-[[2-(4-chloro-3-morpholinosulfonyl-anilino)-2-oxo-ethyl]amino]benzoate CAS Name: 3-[[2-[4-chloro-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate Traditional Name: 3-[[2-(4-chloro-3-morpholinosulfonyl-anilino)-2-keto-ethyl]amino]benzoic acid methyl ester Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H22ClN3O6S/c1-29-20(26)14-3-2-4-15(11-14)22-13-19(25)23-16-5-6-17(21)18(12-16)31(27,28)24-7-9-30-10-8-24/h2-6,11-12,22H,7-10,13H2,1H3,(H,23,25)