[2-[[2-methylpropyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [2-[[2-methylpropyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-[[isobutyl(isopropylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[[2-methylpropyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl] ester IUPAC Name: [2-[[2-methylpropyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-[[isobutyl(isopropylcarbamoyl)amino]methyl]phenyl] ester Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)NC(C)C

Isomeric SMILES

CC(C)CN(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C(=O)NC(C)C

InChI

InChI=1S/C23H31N3O5S/c1-16(2)14-26(23(28)24-17(3)4)15-19-8-6-7-9-22(19)31-32(29,30)21-12-10-20(11-13-21)25-18(5)27/h6-13,16-17H,14-15H2,1-5H3,(H,24,28)(H,25,27)