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

Systemtic Name: [4-chloranyl-2-[[cyclobutylcarbonyl(cyclopropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[[cyclobutyl(oxo)methyl]-cyclopropylamino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]phenyl] ester Formula: C23H25ClN2O5S MolecularWeight: 476.973

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)CN(C3CC3)C(=O)C4CCC4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)CN(C3CC3)C(=O)C4CCC4

InChI

InChI=1S/C23H25ClN2O5S/c1-15(27)25-19-6-10-21(11-7-19)32(29,30)31-22-12-5-18(24)13-17(22)14-26(20-8-9-20)23(28)16-3-2-4-16/h5-7,10-13,16,20H,2-4,8-9,14H2,1H3,(H,25,27)