[4-(thiophen-2-ylcarbonylamino)phenyl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [4-(2-thenoylamino)phenyl] ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H20N2O5S2/c1-15-4-10-18(11-5-15)30(26,27)22-13-12-20(24)28-17-8-6-16(7-9-17)23-21(25)19-3-2-14-29-19/h2-11,14,22H,12-13H2,1H3,(H,23,25)