methyl 5-[(E)-3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-3-oxidanylidene-prop-1-enyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[(E)-3-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-3-oxidanylidene-prop-1-enyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[(E)-3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxo-prop-1-enyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[(E)-3-[4-(1-azepanylsulfonyl)anilino]-3-oxoprop-1-enyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxoprop-1-enyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[(E)-3-[4-(azepan-1-ylsulfonyl)anilino]-3-keto-prop-1-enyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C=CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)OC

InChI

InChI=1S/C22H26N2O6S/c1-16-20(22(26)29-2)15-18(30-16)9-12-21(25)23-17-7-10-19(11-8-17)31(27,28)24-13-5-3-4-6-14-24/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,25)/b12-9+