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

Systemtic Name: [5-(diethylamino)-2-[(propan-2-ylamino)methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-(diethylamino)-2-[(isopropylamino)methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-(diethylamino)-2-[(propan-2-ylamino)methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[(propan-2-ylamino)methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-(diethylamino)-2-[(isopropylamino)methyl]phenyl] ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CNC(C)C)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CNC(C)C)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C22H31N3O4S/c1-6-25(7-2)20-11-8-18(15-23-16(3)4)22(14-20)29-30(27,28)21-12-9-19(10-13-21)24-17(5)26/h8-14,16,23H,6-7,15H2,1-5H3,(H,24,26)