methyl 2-methyl-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-furan-3-carboxylate Openeye Name: methyl 5-[(4-benzyl-1-piperidyl)sulfonyl]-2-methyl-furan-3-carboxylate CAS Name: 2-methyl-5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-(4-benzylpiperidin-1-yl)sulfonyl-2-methylfuran-3-carboxylate Traditional Name: 5-(4-benzylpiperidino)sulfonyl-2-methyl-furan-3-carboxylic acid methyl ester Formula: C19H23NO5S MolecularWeight: 377.45462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C19H23NO5S/c1-14-17(19(21)24-2)13-18(25-14)26(22,23)20-10-8-16(9-11-20)12-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3