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

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CNC1=CC=CC=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

InChI

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