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

Systemtic Name: [2-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-(4-chloro-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-[4-chloro-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-(4-chloro-3-morpholinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H21ClN2O6S/c1-14-3-2-4-15(11-14)20(25)29-13-19(24)22-16-5-6-17(21)18(12-16)30(26,27)23-7-9-28-10-8-23/h2-6,11-12H,7-10,13H2,1H3,(H,22,24)