[2-methoxy-5-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [2-methoxy-5-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-methoxy-5-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-methoxy-5-[[2-methoxyethyl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methoxyethyl(2-methylpropanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-[[isobutyryl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H30N2O7S MolecularWeight: 478.5585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O7S/c1-16(2)23(27)25(12-13-30-4)15-18-6-11-21(31-5)22(14-18)32-33(28,29)20-9-7-19(8-10-20)24-17(3)26/h6-11,14,16H,12-13,15H2,1-5H3,(H,24,26)