(4-phenylmethoxyphenyl) 3-[(2-chloranyl-3-oxidanylidene-butanoyl)amino]-4-methoxy-benzenesulfinate

Systemtic Name: (4-phenylmethoxyphenyl) 3-[(2-chloranyl-3-oxidanylidene-butanoyl)amino]-4-methoxy-benzenesulfinate Openeye Name: (4-benzyloxyphenyl) 3-[(2-chloro-3-oxo-butanoyl)amino]-4-methoxy-benzenesulfinate CAS Name: 3-[(2-chloro-1,3-dioxobutyl)amino]-4-methoxybenzenesulfinic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 3-[(2-chloro-3-oxobutanoyl)amino]-4-methoxybenzenesulfinate Traditional Name: 3-[(2-chloro-3-keto-butanoyl)amino]-4-methoxy-benzenesulfinic acid (4-benzoxyphenyl) ester Formula: C24H22ClNO6S MolecularWeight: 487.95258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)NC1=C(C=CC(=C1)S(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3)OC)Cl

Isomeric SMILES

CC(=O)C(C(=O)NC1=C(C=CC(=C1)S(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3)OC)Cl

InChI

InChI=1S/C24H22ClNO6S/c1-16(27)23(25)24(28)26-21-14-20(12-13-22(21)30-2)33(29)32-19-10-8-18(9-11-19)31-15-17-6-4-3-5-7-17/h3-14,23H,15H2,1-2H3,(H,26,28)