[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] hexanoate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] hexanoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] hexanoate CAS Name: hexanoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] hexanoate Traditional Name: hexanoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCCCC(=O)OC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C21H27NO4S/c1-5-6-7-8-21(23)26-19-12-10-18(11-13-19)22(4)27(24,25)20-14-9-16(2)17(3)15-20/h9-15H,5-8H2,1-4H3