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

Systemtic Name: [2-[(butan-2-ylamino)methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-(diethylamino)-2-[(sec-butylamino)methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[(butan-2-ylamino)methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[(butan-2-ylamino)methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-(diethylamino)-2-[(sec-butylamino)methyl]phenyl] ester Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O4S/c1-6-17(4)24-16-19-9-12-21(26(7-2)8-3)15-23(19)30-31(28,29)22-13-10-20(11-14-22)25-18(5)27/h9-15,17,24H,6-8,16H2,1-5H3,(H,25,27)