methyl 4-(4-azanylpiperidin-1-yl)-2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 4-(4-azanylpiperidin-1-yl)-2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: methyl 4-(4-amino-1-piperidyl)-2-chloro-5-methylsulfonyl-benzoate CAS Name: 4-(4-amino-1-piperidinyl)-2-chloro-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-(4-aminopiperidin-1-yl)-2-chloro-5-methylsulfonylbenzoate Traditional Name: 4-(4-aminopiperidino)-2-chloro-5-mesyl-benzoic acid methyl ester Formula: C14H19ClN2O4S MolecularWeight: 346.82966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1Cl)N2CCC(CC2)N)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1Cl)N2CCC(CC2)N)S(=O)(=O)C

InChI

InChI=1S/C14H19ClN2O4S/c1-21-14(18)10-7-13(22(2,19)20)12(8-11(10)15)17-5-3-9(16)4-6-17/h7-9H,3-6,16H2,1-2H3