(2-oxidanylidene-2-phenylazanyl-ethyl) 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-anilino-2-oxo-ethyl) 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid (2-anilino-2-keto-ethyl) ester Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H21ClN2O5S/c21-18-10-9-16(29(26,27)23-11-5-2-6-12-23)13-17(18)20(25)28-14-19(24)22-15-7-3-1-4-8-15/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,22,24)