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

Systemtic Name: [2-[[tert-butylcarbamoyl(propan-2-yl)amino]methyl]-4-chloranyl-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-[[tert-butylcarbamoyl(isopropyl)amino]methyl]-4-chloro-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[[[(tert-butylamino)-oxomethyl]-propan-2-ylamino]methyl]-4-chlorophenyl] ester IUPAC Name: [2-[[tert-butylcarbamoyl(propan-2-yl)amino]methyl]-4-chlorophenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-[[tert-butylcarbamoyl(isopropyl)amino]methyl]-4-chloro-phenyl] ester Formula: C23H30ClN3O5S MolecularWeight: 496.0194

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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)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN3O5S/c1-15(2)27(22(29)26-23(4,5)6)14-17-13-18(24)7-12-21(17)32-33(30,31)20-10-8-19(9-11-20)25-16(3)28/h7-13,15H,14H2,1-6H3,(H,25,28)(H,26,29)