[4-chloranyl-2-[(propan-2-ylamino)methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-chloranyl-2-[(propan-2-ylamino)methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[(isopropylamino)methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[(propan-2-ylamino)methyl]phenyl] ester IUPAC Name: [4-chloro-2-[(propan-2-ylamino)methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[(isopropylamino)methyl]phenyl] ester Formula: C18H21ClN2O4S MolecularWeight: 396.88834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC(C)NCC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C18H21ClN2O4S/c1-12(2)20-11-14-10-15(19)4-9-18(14)25-26(23,24)17-7-5-16(6-8-17)21-13(3)22/h4-10,12,20H,11H2,1-3H3,(H,21,22)