methyl 3-methylsulfonyl-4-(4-piperidin-1-ylpiperidin-1-yl)benzoate

Systemtic Name: methyl 3-methylsulfonyl-4-(4-piperidin-1-ylpiperidin-1-yl)benzoate Openeye Name: methyl 3-methylsulfonyl-4-[4-(1-piperidyl)-1-piperidyl]benzoate CAS Name: 3-methylsulfonyl-4-[4-(1-piperidinyl)-1-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 3-methylsulfonyl-4-(4-piperidin-1-ylpiperidin-1-yl)benzoate Traditional Name: 3-mesyl-4-(4-piperidinopiperidino)benzoic acid methyl ester Formula: C19H28N2O4S MolecularWeight: 380.50162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3CCCCC3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3CCCCC3)S(=O)(=O)C

InChI

InChI=1S/C19H28N2O4S/c1-25-19(22)15-6-7-17(18(14-15)26(2,23)24)21-12-8-16(9-13-21)20-10-4-3-5-11-20/h6-7,14,16H,3-5,8-13H2,1-2H3