(4-methylphenyl)methyl 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: (4-methylphenyl)methyl 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfonyl-butanoate Openeye Name: p-tolylmethyl 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfonyl-butanoate CAS Name: 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfonylbutanoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfonylbutanoate Traditional Name: 2-[(4-chlorophenyl)sulfonylamino]-4-mesyl-butyric acid (4-methylbenzyl) ester Formula: C19H22ClNO6S2 MolecularWeight: 459.96408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C(CCS(=O)(=O)C)NS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C(CCS(=O)(=O)C)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H22ClNO6S2/c1-14-3-5-15(6-4-14)13-27-19(22)18(11-12-28(2,23)24)21-29(25,26)17-9-7-16(20)8-10-17/h3-10,18,21H,11-13H2,1-2H3