(2-chloranyl-5-methyl-phenyl) 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoate Openeye Name: (2-chloro-5-methyl-phenyl) 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoate CAS Name: 4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoate Traditional Name: 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butyric acid (2-chloro-5-methyl-phenyl) ester Formula: C19H22ClNO5S MolecularWeight: 411.89968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClNO5S/c1-14-6-11-17(20)18(13-14)26-19(22)5-4-12-21(2)27(23,24)16-9-7-15(25-3)8-10-16/h6-11,13H,4-5,12H2,1-3H3