[1-[(4-benzamido-2-chloranyl-5-oxidanyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 3-methylbenzenesulfinate

Systemtic Name: [1-[(4-benzamido-2-chloranyl-5-oxidanyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 3-methylbenzenesulfinate Openeye Name: 1-[(4-benzamido-2-chloro-5-hydroxy-phenyl)carbamoyl]propyl 3-methylbenzenesulfinate CAS Name: 3-methylbenzenesulfinic acid [1-(4-benzamido-2-chloro-5-hydroxyanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-benzamido-2-chloro-5-hydroxyanilino)-1-oxobutan-2-yl] 3-methylbenzenesulfinate Traditional Name: 3-methylbenzenesulfinic acid 1-[(4-benzamido-2-chloro-5-hydroxy-phenyl)carbamoyl]propyl ester Formula: C24H23ClN2O5S MolecularWeight: 486.96782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C2=CC=CC=C2)O)OS(=O)C3=CC=CC(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C2=CC=CC=C2)O)OS(=O)C3=CC=CC(=C3)C

InChI

InChI=1S/C24H23ClN2O5S/c1-3-22(32-33(31)17-11-7-8-15(2)12-17)24(30)26-19-14-21(28)20(13-18(19)25)27-23(29)16-9-5-4-6-10-16/h4-14,22,28H,3H2,1-2H3,(H,26,30)(H,27,29)