[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-(2,2-dimethylpropanoylamino)propanoate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-(2,2-dimethylpropanoylamino)propanoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-(2,2-dimethylpropanoylamino)propanoate CAS Name: 3-[(2,2-dimethyl-1-oxopropyl)amino]propanoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 3-(2,2-dimethylpropanoylamino)propanoate Traditional Name: 3-(pivaloylamino)propionic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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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)CCNC(=O)C(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5S/c1-16-7-12-20(15-17(16)2)31(28,29)25(6)18-8-10-19(11-9-18)30-21(26)13-14-24-22(27)23(3,4)5/h7-12,15H,13-14H2,1-6H3,(H,24,27)