[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methoxynaphthalene-2-carboxylate

Systemtic Name: [2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methoxynaphthalene-2-carboxylate Openeye Name: [2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl] 3-methoxynaphthalene-2-carboxylate CAS Name: 3-methoxy-2-naphthalenecarboxylic acid [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate Traditional Name: 3-methoxynaphthalene-2-carboxylic acid [2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl] ester Formula: C21H18ClNO6S MolecularWeight: 447.88872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C21H18ClNO6S/c1-28-19-10-14-6-4-3-5-13(14)9-16(19)21(25)29-12-20(24)23-18-11-15(30(2,26)27)7-8-17(18)22/h3-11H,12H2,1-2H3,(H,23,24)