methyl 4-[(3-azanylpiperidin-1-yl)sulfonylmethyl]benzoate

Systemtic Name: methyl 4-[(3-azanylpiperidin-1-yl)sulfonylmethyl]benzoate Openeye Name: methyl 4-[(3-amino-1-piperidyl)sulfonylmethyl]benzoate CAS Name: 4-[(3-amino-1-piperidinyl)sulfonylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-aminopiperidin-1-yl)sulfonylmethyl]benzoate Traditional Name: 4-[(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=C(C=C1)CS(=O)(=O)N2CCCC(C2)N

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-20-14(17)12-6-4-11(5-7-12)10-21(18,19)16-8-2-3-13(15)9-16/h4-7,13H,2-3,8-10,15H2,1H3