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

Systemtic Name: [5-(diethylamino)-2-[(2-methoxyethylamino)methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-(diethylamino)-2-[(2-methoxyethylamino)methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-(diethylamino)-2-[(2-methoxyethylamino)methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[(2-methoxyethylamino)methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-(diethylamino)-2-[(2-methoxyethylamino)methyl]phenyl] ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O5S/c1-5-25(6-2)20-10-7-18(16-23-13-14-29-4)22(15-20)30-31(27,28)21-11-8-19(9-12-21)24-17(3)26/h7-12,15,23H,5-6,13-14,16H2,1-4H3,(H,24,26)