(2-benzamido-2-oxidanylidene-ethyl) 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-benzamido-2-oxo-ethyl) 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid (2-benzamido-2-keto-ethyl) ester Formula: C21H21ClN2O6S MolecularWeight: 464.91924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H21ClN2O6S/c22-17-10-9-16(13-18(17)31(28,29)24-11-5-2-6-12-24)21(27)30-14-19(25)23-20(26)15-7-3-1-4-8-15/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,23,25,26)