[4-chloranyl-2-[(cyclopropylamino)methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-chloranyl-2-[(cyclopropylamino)methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[(cyclopropylamino)methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[(cyclopropylamino)methyl]phenyl] ester IUPAC Name: [4-chloro-2-[(cyclopropylamino)methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[(cyclopropylamino)methyl]phenyl] ester Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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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)CNC3CC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)CNC3CC3

InChI

InChI=1S/C18H19ClN2O4S/c1-12(22)21-16-5-7-17(8-6-16)26(23,24)25-18-9-2-14(19)10-13(18)11-20-15-3-4-15/h2,5-10,15,20H,3-4,11H2,1H3,(H,21,22)