(4-chloranyl-2-methyl-phenyl) 4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanoate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanoate Openeye Name: (4-chloro-2-methyl-phenyl) 4-[(4-acetylphenyl)sulfonyl-methyl-amino]butanoate CAS Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]butanoic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 4-[(4-acetylphenyl)sulfonyl-methylamino]butanoate Traditional Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]butyric acid (4-chloro-2-methyl-phenyl) ester Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C20H22ClNO5S/c1-14-13-17(21)8-11-19(14)27-20(24)5-4-12-22(3)28(25,26)18-9-6-16(7-10-18)15(2)23/h6-11,13H,4-5,12H2,1-3H3