[4-[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]carbamoyl]phenyl] thiophene-2-sulfonate

Systemtic Name: [4-[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]carbamoyl]phenyl] thiophene-2-sulfonate Openeye Name: [4-[[4-methyl-3-[[4-(3-pyridyl)thiazol-2-yl]amino]phenyl]carbamoyl]phenyl] thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic acid [4-[[4-methyl-3-[[4-(3-pyridinyl)-2-thiazolyl]amino]anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]carbamoyl]phenyl] thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid [4-[[4-methyl-3-[[4-(3-pyridyl)thiazol-2-yl]amino]phenyl]carbamoyl]phenyl] ester Formula: C26H20N4O4S3 MolecularWeight: 548.6564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CS3)NC4=NC(=CS4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CS3)NC4=NC(=CS4)C5=CN=CC=C5

InChI

InChI=1S/C26H20N4O4S3/c1-17-6-9-20(14-22(17)29-26-30-23(16-36-26)19-4-2-12-27-15-19)28-25(31)18-7-10-21(11-8-18)34-37(32,33)24-5-3-13-35-24/h2-16H,1H3,(H,28,31)(H,29,30)