[2-[[butan-2-yl(2-methoxyethanoyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [2-[[butan-2-yl(2-methoxyethanoyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-(diethylamino)-2-[[(2-methoxyacetyl)-sec-butyl-amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[[butan-2-yl-(2-methoxy-1-oxoethyl)amino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[butan-2-yl-(2-methoxyacetyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-(diethylamino)-2-[[(2-methoxyacetyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C26H37N3O6S MolecularWeight: 519.65348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=C(C=C(C=C1)N(CC)CC)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)COC

Isomeric SMILES

CCC(C)N(CC1=C(C=C(C=C1)N(CC)CC)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)COC

InChI

InChI=1S/C26H37N3O6S/c1-7-19(4)29(26(31)18-34-6)17-21-10-13-23(28(8-2)9-3)16-25(21)35-36(32,33)24-14-11-22(12-15-24)27-20(5)30/h10-16,19H,7-9,17-18H2,1-6H3,(H,27,30)