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

Systemtic Name: [5-[[butan-2-yl(2-methoxyethanoyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-methoxy-5-[[(2-methoxyacetyl)-sec-butyl-amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-[[butan-2-yl-(2-methoxy-1-oxoethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl-(2-methoxyacetyl)amino]methyl]-2-methoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-methoxy-5-[[(2-methoxyacetyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C23H30N2O7S MolecularWeight: 478.5585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O7S/c1-6-16(2)25(23(27)15-30-4)14-18-7-12-21(31-5)22(13-18)32-33(28,29)20-10-8-19(9-11-20)24-17(3)26/h7-13,16H,6,14-15H2,1-5H3,(H,24,26)