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

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3,3-dimethylbutanoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric 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:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CC(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CC(C)(C)C)C

InChI

InChI=1S/C21H27NO4S/c1-15-7-12-19(13-16(15)2)27(24,25)22(6)17-8-10-18(11-9-17)26-20(23)14-21(3,4)5/h7-13H,14H2,1-6H3