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

Systemtic Name: [5-[[butan-2-yl(ethylcarbamoyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [5-[[ethylcarbamoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-[[butan-2-yl(ethylcarbamoyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(ethylcarbamoyl)amino]methyl]-2-methoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-[[ethylcarbamoyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H31N3O6S MolecularWeight: 477.57374

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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)NCC

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O6S/c1-6-16(3)26(23(28)24-7-2)15-18-8-13-21(31-5)22(14-18)32-33(29,30)20-11-9-19(10-12-20)25-17(4)27/h8-14,16H,6-7,15H2,1-5H3,(H,24,28)(H,25,27)