methyl 2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)amino]benzoate

Systemtic Name: methyl 2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)amino]benzoate Openeye Name: methyl 2-[[5-(1-piperidylsulfonyl)-2-pyridyl]amino]benzoate CAS Name: 2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)amino]benzoate Traditional Name: 2-[(5-piperidinosulfonyl-2-pyridyl)amino]benzoic acid methyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H21N3O4S/c1-25-18(22)15-7-3-4-8-16(15)20-17-10-9-14(13-19-17)26(23,24)21-11-5-2-6-12-21/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,19,20)