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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO7S/c1-28-22(25)19-12-15-29-20(19)16-30-21(24)11-8-17-6-9-18(10-7-17)31(26,27)23-13-4-2-3-5-14-23/h6-12,15H,2-5,13-14,16H2,1H3/b11-8+