[4-(phenylmethyl)sulfonylphenyl]methyl 4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [4-(phenylmethyl)sulfonylphenyl]methyl 4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (4-benzylsulfonylphenyl)methyl 4-(3-chloro-2-methyl-anilino)-4-oxo-butanoate CAS Name: 4-(3-chloro-2-methylanilino)-4-oxobutanoic acid [4-(phenylmethyl)sulfonylphenyl]methyl ester IUPAC Name: (4-benzylsulfonylphenyl)methyl 4-(3-chloro-2-methylanilino)-4-oxobutanoate Traditional Name: 4-(3-chloro-2-methyl-anilino)-4-keto-butyric acid (4-benzylsulfonylbenzyl) ester Formula: C25H24ClNO5S MolecularWeight: 485.97976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)OCC2=CC=C(C=C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)OCC2=CC=C(C=C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H24ClNO5S/c1-18-22(26)8-5-9-23(18)27-24(28)14-15-25(29)32-16-19-10-12-21(13-11-19)33(30,31)17-20-6-3-2-4-7-20/h2-13H,14-17H2,1H3,(H,27,28)