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

Systemtic Name: [4-chloranyl-2-[[propan-2-yl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[isopropyl(isopropylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[[oxo-(propan-2-ylamino)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[propan-2-yl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[isopropyl(isopropylcarbamoyl)amino]methyl]phenyl] ester Formula: C22H28ClN3O5S MolecularWeight: 481.99282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O5S/c1-14(2)24-22(28)26(15(3)4)13-17-12-18(23)6-11-21(17)31-32(29,30)20-9-7-19(8-10-20)25-16(5)27/h6-12,14-15H,13H2,1-5H3,(H,24,28)(H,25,27)