[5-[[2-dimethylaminoethyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [5-[[2-dimethylaminoethyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-[[2-dimethylaminoethyl(3-methylbutanoyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-[[2-dimethylaminoethyl-(3-methyl-1-oxobutyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[2-dimethylaminoethyl(3-methylbutanoyl)amino]methyl]-2-methoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-[[2-dimethylaminoethyl(isovaleryl)amino]methyl]-2-methoxy-phenyl] ester Formula: C25H35N3O6S MolecularWeight: 505.6269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CCN(C)C)CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC(C)CC(=O)N(CCN(C)C)CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C25H35N3O6S/c1-18(2)15-25(30)28(14-13-27(4)5)17-20-7-12-23(33-6)24(16-20)34-35(31,32)22-10-8-21(9-11-22)26-19(3)29/h7-12,16,18H,13-15,17H2,1-6H3,(H,26,29)