[5-(diethylamino)-2-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [5-(diethylamino)-2-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-(diethylamino)-2-[[ethylcarbamoyl(isobutyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-(diethylamino)-2-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-(diethylamino)-2-[[ethylcarbamoyl(isobutyl)amino]methyl]phenyl] ester Formula: C20H35N3O4S MolecularWeight: 413.5746

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CC1=C(C=C(C=C1)N(CC)CC)OS(=O)(=O)CC)CC(C)C

Isomeric SMILES

CCNC(=O)N(CC1=C(C=C(C=C1)N(CC)CC)OS(=O)(=O)CC)CC(C)C

InChI

InChI=1S/C20H35N3O4S/c1-7-21-20(24)23(14-16(5)6)15-17-11-12-18(22(8-2)9-3)13-19(17)27-28(25,26)10-4/h11-13,16H,7-10,14-15H2,1-6H3,(H,21,24)