[4-[[butan-2-yl(2-methylpropanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-[[butan-2-yl(2-methylpropanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-[[2-methylpropanoyl(sec-butyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-[[butan-2-yl-(2-methyl-1-oxopropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl(2-methylpropanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-[[isobutyryl(sec-butyl)amino]methyl]phenyl] ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5S/c1-6-17(4)25(23(27)16(2)3)15-19-7-11-21(12-8-19)30-31(28,29)22-13-9-20(10-14-22)24-18(5)26/h7-14,16-17H,6,15H2,1-5H3,(H,24,26)