[2-[(4-methylpyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(4-methylpyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[(4-methylpyrimidin-2-yl)amino]-2-oxo-ethyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [2-[(4-methyl-2-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylpyrimidin-2-yl)amino]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [2-keto-2-[(4-methylpyrimidin-2-yl)amino]ethyl] ester Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=NC(=NC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H22N4O5S/c1-14-9-10-20-19(21-14)22-17(24)13-28-18(25)15-5-7-16(8-6-15)29(26,27)23-11-3-2-4-12-23/h5-10H,2-4,11-13H2,1H3,(H,20,21,22,24)