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

Systemtic Name: methyl 5-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]oxymethyl]-3-methyl-furan-2-carboxylate Openeye Name: methyl 5-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]oxymethyl]-3-methyl-furan-2-carboxylate CAS Name: 5-[[(E)-3-[4-(1-azepanylsulfonyl)phenyl]-1-oxoprop-2-enoxy]methyl]-3-methyl-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]oxymethyl]-3-methylfuran-2-carboxylate Traditional Name: 5-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acryloyl]oxymethyl]-3-methyl-furan-2-carboxylic acid methyl ester Formula: C23H27NO7S MolecularWeight: 461.52798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)COC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)COC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)OC

InChI

InChI=1S/C23H27NO7S/c1-17-15-19(31-22(17)23(26)29-2)16-30-21(25)12-9-18-7-10-20(11-8-18)32(27,28)24-13-5-3-4-6-14-24/h7-12,15H,3-6,13-14,16H2,1-2H3/b12-9+