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

Systemtic Name: [3-[(propan-2-ylamino)methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [3-[(isopropylamino)methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [3-[(propan-2-ylamino)methyl]phenyl] ester IUPAC Name: [3-[(propan-2-ylamino)methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [3-[(isopropylamino)methyl]phenyl] ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4S/c1-13(2)19-12-15-5-4-6-17(11-15)24-25(22,23)18-9-7-16(8-10-18)20-14(3)21/h4-11,13,19H,12H2,1-3H3,(H,20,21)