methyl 3-[(3-azanylpiperidin-1-yl)sulfonylmethyl]benzoate

Systemtic Name: methyl 3-[(3-azanylpiperidin-1-yl)sulfonylmethyl]benzoate Openeye Name: methyl 3-[(3-amino-1-piperidyl)sulfonylmethyl]benzoate CAS Name: 3-[(3-amino-1-piperidinyl)sulfonylmethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-aminopiperidin-1-yl)sulfonylmethyl]benzoate Traditional Name: 3-[(3-aminopiperidino)sulfonylmethyl]benzoic acid methyl ester Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CS(=O)(=O)N2CCCC(C2)N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CS(=O)(=O)N2CCCC(C2)N

InChI

InChI=1S/C14H20N2O4S/c1-20-14(17)12-5-2-4-11(8-12)10-21(18,19)16-7-3-6-13(15)9-16/h2,4-5,8,13H,3,6-7,9-10,15H2,1H3