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

Systemtic Name: [2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-oxidanyl-benzoate Openeye Name: [2-(2-chloro-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid [2-[2-chloro-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid [2-(2-chloro-5-morpholinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C20H21ClN2O7S MolecularWeight: 468.90794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C20H21ClN2O7S/c1-13-3-2-4-15(19(13)25)20(26)30-12-18(24)22-17-11-14(5-6-16(17)21)31(27,28)23-7-9-29-10-8-23/h2-6,11,25H,7-10,12H2,1H3,(H,22,24)