[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)propanoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)propionic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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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)CCN3C(=CC(=N3)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CCN3C(=CC(=N3)C)C)C

InChI

InChI=1S/C23H27N3O4S/c1-16-6-11-22(14-17(16)2)31(28,29)25(5)20-7-9-21(10-8-20)30-23(27)12-13-26-19(4)15-18(3)24-26/h6-11,14-15H,12-13H2,1-5H3