[2-[[butylsulfonyl(2-dimethylaminoethyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate

Systemtic Name: [2-[[butylsulfonyl(2-dimethylaminoethyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate Openeye Name: [2-[[butylsulfonyl(2-dimethylaminoethyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-[[butylsulfonyl(2-dimethylaminoethyl)amino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[butylsulfonyl(2-dimethylaminoethyl)amino]methyl]-5-(diethylamino)phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-[[butylsulfonyl(2-dimethylaminoethyl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C21H39N3O5S2 MolecularWeight: 477.68146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N(CCN(C)C)CC1=C(C=C(C=C1)N(CC)CC)OS(=O)(=O)CC

Isomeric SMILES

CCCCS(=O)(=O)N(CCN(C)C)CC1=C(C=C(C=C1)N(CC)CC)OS(=O)(=O)CC

InChI

InChI=1S/C21H39N3O5S2/c1-7-11-16-30(25,26)24(15-14-22(5)6)18-19-12-13-20(23(8-2)9-3)17-21(19)29-31(27,28)10-4/h12-13,17H,7-11,14-16,18H2,1-6H3