[4-chloranyl-2-[[cyclopropyl(2-methylpropanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[cyclopropyl(2-methylpropanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[cyclopropyl(2-methylpropanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[cyclopropyl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[cyclopropyl(2-methylpropanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[cyclopropyl(isobutyryl)amino]methyl]phenyl] ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C3CC3

Isomeric SMILES

CC(C)C(=O)N(CC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C3CC3

InChI

InChI=1S/C22H25ClN2O5S/c1-14(2)22(27)25(19-7-8-19)13-16-12-17(23)4-11-21(16)30-31(28,29)20-9-5-18(6-10-20)24-15(3)26/h4-6,9-12,14,19H,7-8,13H2,1-3H3,(H,24,26)