methyl 5-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyloxymethyl]-3-methyl-furan-2-carboxylate

Systemtic Name: methyl 5-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyloxymethyl]-3-methyl-furan-2-carboxylate Openeye Name: methyl 5-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyloxymethyl]-3-methyl-furan-2-carboxylate CAS Name: 5-[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropoxy]methyl]-3-methyl-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyloxymethyl]-3-methylfuran-2-carboxylate Traditional Name: 5-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyloxymethyl]-3-methyl-furan-2-carboxylic acid methyl ester Formula: C23H29NO7S MolecularWeight: 463.54386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)OC

InChI

InChI=1S/C23H29NO7S/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/h7-8,10-11,15H,3-6,9,12-14,16H2,1-2H3