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

Systemtic Name: [2-[[butan-2-yl(tert-butylcarbamoyl)amino]methyl]-4-chloranyl-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-[[tert-butylcarbamoyl(sec-butyl)amino]methyl]-4-chloro-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[[butan-2-yl-[(tert-butylamino)-oxomethyl]amino]methyl]-4-chlorophenyl] ester IUPAC Name: [2-[[butan-2-yl(tert-butylcarbamoyl)amino]methyl]-4-chlorophenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-[[tert-butylcarbamoyl(sec-butyl)amino]methyl]-4-chloro-phenyl] ester Formula: C24H32ClN3O5S MolecularWeight: 510.04598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CCC(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/C24H32ClN3O5S/c1-7-16(2)28(23(30)27-24(4,5)6)15-18-14-19(25)8-13-22(18)33-34(31,32)21-11-9-20(10-12-21)26-17(3)29/h8-14,16H,7,15H2,1-6H3,(H,26,29)(H,27,30)