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

Systemtic Name: [4-chloranyl-2-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] ester Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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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)C3CC3

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O5S/c1-3-23-21(27)25(18-7-8-18)13-15-12-16(22)4-11-20(15)30-31(28,29)19-9-5-17(6-10-19)24-14(2)26/h4-6,9-12,18H,3,7-8,13H2,1-2H3,(H,23,27)(H,24,26)