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

Systemtic Name: [2-[[furan-2-ylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-[[2-furylmethyl(isopropylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[[2-furanylmethyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl] ester IUPAC Name: [2-[[furan-2-ylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-[[2-furfuryl(isopropylcarbamoyl)amino]methyl]phenyl] ester Formula: C24H27N3O6S MolecularWeight: 485.55268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)CC3=CC=CO3

Isomeric SMILES

CC(C)NC(=O)N(CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)CC3=CC=CO3

InChI

InChI=1S/C24H27N3O6S/c1-17(2)25-24(29)27(16-21-8-6-14-32-21)15-19-7-4-5-9-23(19)33-34(30,31)22-12-10-20(11-13-22)26-18(3)28/h4-14,17H,15-16H2,1-3H3,(H,25,29)(H,26,28)