2-methyl-5-[(E)-3-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]amino]-3-oxidanylidene-prop-1-enyl]furan-3-carboxylic acid

Systemtic Name: 2-methyl-5-[(E)-3-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]amino]-3-oxidanylidene-prop-1-enyl]furan-3-carboxylic acid Openeye Name: 2-methyl-5-[(E)-3-[4-[(4-methyl-1-piperidyl)sulfonyl]anilino]-3-oxo-prop-1-enyl]furan-3-carboxylic acid CAS Name: 2-methyl-5-[(E)-3-[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-3-oxoprop-1-enyl]-3-furancarboxylic acid IUPAC Name: 2-methyl-5-[(E)-3-[4-(4-methylpiperidin-1-yl)sulfonylanilino]-3-oxoprop-1-enyl]furan-3-carboxylic acid Traditional Name: 5-[(E)-3-keto-3-[4-(4-methylpiperidino)sulfonylanilino]prop-1-enyl]-2-methyl-3-furoic acid Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC3=CC(=C(O3)C)C(=O)O

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=C(O3)C)C(=O)O

InChI

InChI=1S/C21H24N2O6S/c1-14-9-11-23(12-10-14)30(27,28)18-6-3-16(4-7-18)22-20(24)8-5-17-13-19(21(25)26)15(2)29-17/h3-8,13-14H,9-12H2,1-2H3,(H,22,24)(H,25,26)/b8-5+