[4-chloranyl-2-[[propan-2-yl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[propan-2-yl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[isopropyl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[[oxo(thiophen-2-yl)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[propan-2-yl(thiophene-2-carbonyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[isopropyl(2-thenoyl)amino]methyl]phenyl] ester Formula: C23H23ClN2O5S2 MolecularWeight: 507.02212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)N(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)C3=CC=CS3

InChI

InChI=1S/C23H23ClN2O5S2/c1-15(2)26(23(28)22-5-4-12-32-22)14-17-13-18(24)6-11-21(17)31-33(29,30)20-9-7-19(8-10-20)25-16(3)27/h4-13,15H,14H2,1-3H3,(H,25,27)