[4-[(E)-3-(butylamino)-2-(furan-2-ylcarbonylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-3-(butylamino)-2-(furan-2-ylcarbonylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-3-(butylamino)-2-(furan-2-carbonylamino)-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-3-(butylamino)-2-[[2-furanyl(oxo)methyl]amino]-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(butylamino)-2-(furan-2-carbonylamino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-(butylamino)-2-(2-furoylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)C3=CC=CO3

Isomeric SMILES

CCCCNC(=O)/C(=C\C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)/NC(=O)C3=CC=CO3

InChI

InChI=1S/C25H26N2O6S/c1-3-4-15-26-24(28)22(27-25(29)23-6-5-16-32-23)17-19-9-11-20(12-10-19)33-34(30,31)21-13-7-18(2)8-14-21/h5-14,16-17H,3-4,15H2,1-2H3,(H,26,28)(H,27,29)/b22-17+