methyl 3-(4-azanylpiperidin-1-yl)sulfonyl-4-chloranyl-benzoate

Systemtic Name: methyl 3-(4-azanylpiperidin-1-yl)sulfonyl-4-chloranyl-benzoate Openeye Name: methyl 3-[(4-amino-1-piperidyl)sulfonyl]-4-chloro-benzoate CAS Name: 3-[(4-amino-1-piperidinyl)sulfonyl]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-(4-aminopiperidin-1-yl)sulfonyl-4-chlorobenzoate Traditional Name: 3-(4-aminopiperidino)sulfonyl-4-chloro-benzoic acid methyl ester Formula: C13H17ClN2O4S MolecularWeight: 332.80308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O4S/c1-20-13(17)9-2-3-11(14)12(8-9)21(18,19)16-6-4-10(15)5-7-16/h2-3,8,10H,4-7,15H2,1H3