methyl 2-[(4-chloranyl-2-hexanoyl-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: methyl 2-[(4-chloranyl-2-hexanoyl-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: methyl 2-[4-chloro-2-hexanoyl-N-(p-tolylsulfonyl)anilino]acetate CAS Name: 2-[4-chloro-N-(4-methylphenyl)sulfonyl-2-(1-oxohexyl)anilino]acetic acid methyl ester IUPAC Name: methyl 2-(4-chloro-2-hexanoyl-N-(4-methylphenyl)sulfonylanilino)acetate Traditional Name: 2-(2-caproyl-4-chloro-N-tosyl-anilino)acetic acid methyl ester Formula: C22H26ClNO5S MolecularWeight: 451.96354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C(C=CC(=C1)Cl)N(CC(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCC(=O)C1=C(C=CC(=C1)Cl)N(CC(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H26ClNO5S/c1-4-5-6-7-21(25)19-14-17(23)10-13-20(19)24(15-22(26)29-3)30(27,28)18-11-8-16(2)9-12-18/h8-14H,4-7,15H2,1-3H3