[4-chloranyl-2-[[furan-2-ylmethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-chloranyl-2-[[furan-2-ylmethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-chloro-2-[[2-furylmethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[2-furanylmethyl-(3-methyl-1-oxobutyl)amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[furan-2-ylmethyl(3-methylbutanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-chloro-2-[[2-furfuryl(isovaleryl)amino]methyl]phenyl] ester Formula: C25H27ClN2O6S MolecularWeight: 519.00968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CC1=CC=CO1)CC2=C(C=CC(=C2)Cl)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC(C)CC(=O)N(CC1=CC=CO1)CC2=C(C=CC(=C2)Cl)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C25H27ClN2O6S/c1-17(2)13-25(30)28(16-22-5-4-12-33-22)15-19-14-20(26)6-11-24(19)34-35(31,32)23-9-7-21(8-10-23)27-18(3)29/h4-12,14,17H,13,15-16H2,1-3H3,(H,27,29)