methyl 5-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]oxymethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]oxymethyl]furan-2-carboxylate Openeye Name: methyl 5-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]oxymethyl]furan-2-carboxylate CAS Name: 5-[[(E)-3-[4-(1-azepanylsulfonyl)phenyl]-1-oxoprop-2-enoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]oxymethyl]furan-2-carboxylate Traditional Name: 5-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acryloyl]oxymethyl]furan-2-carboxylic acid methyl ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)COC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(O1)COC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H25NO7S/c1-28-22(25)20-12-9-18(30-20)16-29-21(24)13-8-17-6-10-19(11-7-17)31(26,27)23-14-4-2-3-5-15-23/h6-13H,2-5,14-16H2,1H3/b13-8+