[2-[[3,5-bis(chloranyl)-4-methyl-pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[[3,5-bis(chloranyl)-4-methyl-pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[(3,5-dichloro-4-methyl-2-pyridyl)amino]-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dichloro-4-methylpyridin-2-yl)amino]-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-[(3,5-dichloro-4-methyl-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C20H21Cl2N3O5S MolecularWeight: 486.36884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C20H21Cl2N3O5S/c1-13-16(21)11-23-19(18(13)22)24-17(26)12-30-20(27)14-6-5-7-15(10-14)31(28,29)25-8-3-2-4-9-25/h5-7,10-11H,2-4,8-9,12H2,1H3,(H,23,24,26)