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

Systemtic Name: methyl 3-methylsulfonyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)benzoate Openeye Name: methyl 3-methylsulfonyl-4-(4-pyrrolidin-1-yl-1-piperidyl)benzoate CAS Name: 3-methylsulfonyl-4-[4-(1-pyrrolidinyl)-1-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 3-methylsulfonyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)benzoate Traditional Name: 3-mesyl-4-(4-pyrrolidinopiperidino)benzoic acid methyl ester Formula: C18H26N2O4S MolecularWeight: 366.47504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3CCCC3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3CCCC3)S(=O)(=O)C

InChI

InChI=1S/C18H26N2O4S/c1-24-18(21)14-5-6-16(17(13-14)25(2,22)23)20-11-7-15(8-12-20)19-9-3-4-10-19/h5-6,13,15H,3-4,7-12H2,1-2H3