[3-[(2-dimethylaminoethylamino)methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [3-[(2-dimethylaminoethylamino)methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [3-[(2-dimethylaminoethylamino)methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [3-[(2-dimethylaminoethylamino)methyl]phenyl] ester IUPAC Name: [3-[(2-dimethylaminoethylamino)methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [3-[(2-dimethylaminoethylamino)methyl]phenyl] ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CNCCN(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CNCCN(C)C

InChI

InChI=1S/C19H25N3O4S/c1-15(23)21-17-7-9-19(10-8-17)27(24,25)26-18-6-4-5-16(13-18)14-20-11-12-22(2)3/h4-10,13,20H,11-12,14H2,1-3H3,(H,21,23)