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

Systemtic Name: [2-[[butan-2-yl(ethanoyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-[[acetyl(sec-butyl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[[acetyl(butan-2-yl)amino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[acetyl(butan-2-yl)amino]methyl]-5-(diethylamino)phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-[[acetyl(sec-butyl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C25H35N3O5S MolecularWeight: 489.6275

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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)C

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)C

InChI

InChI=1S/C25H35N3O5S/c1-7-18(4)28(20(6)30)17-21-10-13-23(27(8-2)9-3)16-25(21)33-34(31,32)24-14-11-22(12-15-24)26-19(5)29/h10-16,18H,7-9,17H2,1-6H3,(H,26,29)