[4-chloranyl-2-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[ethylcarbamoyl(isobutyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[ethylcarbamoyl(isobutyl)amino]methyl]phenyl] ester Formula: C22H28ClN3O5S MolecularWeight: 481.99282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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