(4-chloranylnaphthalen-1-yl) 1-methylsulfonylpiperidine-3-carboxylate

Systemtic Name: (4-chloranylnaphthalen-1-yl) 1-methylsulfonylpiperidine-3-carboxylate Openeye Name: (4-chloro-1-naphthyl) 1-methylsulfonylpiperidine-3-carboxylate CAS Name: 1-methylsulfonyl-3-piperidinecarboxylic acid (4-chloro-1-naphthalenyl) ester IUPAC Name: (4-chloronaphthalen-1-yl) 1-methylsulfonylpiperidine-3-carboxylate Traditional Name: 1-mesylnipecotic acid (4-chloro-1-naphthyl) ester Formula: C17H18ClNO4S MolecularWeight: 367.84712

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)OC2=CC=C(C3=CC=CC=C32)Cl

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C(=O)OC2=CC=C(C3=CC=CC=C32)Cl

InChI

InChI=1S/C17H18ClNO4S/c1-24(21,22)19-10-4-5-12(11-19)17(20)23-16-9-8-15(18)13-6-2-3-7-14(13)16/h2-3,6-9,12H,4-5,10-11H2,1H3