[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 4-(2-ethoxyphenoxy)butanoate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 4-(2-ethoxyphenoxy)butanoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 4-(2-ethoxyphenoxy)butanoate CAS Name: 4-(2-ethoxyphenoxy)butanoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 4-(2-ethoxyphenoxy)butanoate Traditional Name: 4-(2-ethoxyphenoxy)butyric acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCCC(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC1=CC=CC=C1OCCCC(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C27H31NO6S/c1-5-32-25-9-6-7-10-26(25)33-18-8-11-27(29)34-23-15-13-22(14-16-23)28(4)35(30,31)24-17-12-20(2)21(3)19-24/h6-7,9-10,12-17,19H,5,8,11,18H2,1-4H3