[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-(thiophen-3-ylcarbonylamino)propanoate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C23H24N2O5S2 MolecularWeight: 472.57706

Click to see the large picture

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)C3=CSC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CCNC(=O)C3=CSC=C3)C

InChI

InChI=1S/C23H24N2O5S2/c1-16-4-9-21(14-17(16)2)32(28,29)25(3)19-5-7-20(8-6-19)30-22(26)10-12-24-23(27)18-11-13-31-15-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,24,27)