[4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 4-(4-methylphenoxy)butanoate

Systemtic Name: [4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 4-(4-methylphenoxy)butanoate Openeye Name: [4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 4-(4-methylphenoxy)butanoate CAS Name: 4-(4-methylphenoxy)butanoic acid [4-[(2,5-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(2,5-dimethylphenyl)sulfonyl-methylamino]phenyl] 4-(4-methylphenoxy)butanoate Traditional Name: 4-(4-methylphenoxy)butyric acid [4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C26H29NO5S MolecularWeight: 467.57716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C26H29NO5S/c1-19-8-13-23(14-9-19)31-17-5-6-26(28)32-24-15-11-22(12-16-24)27(4)33(29,30)25-18-20(2)7-10-21(25)3/h7-16,18H,5-6,17H2,1-4H3