4-phenylbutyl 1-methylsulfonylpiperidine-2-carboxylate

Systemtic Name: 4-phenylbutyl 1-methylsulfonylpiperidine-2-carboxylate Openeye Name: 4-phenylbutyl 1-methylsulfonylpiperidine-2-carboxylate CAS Name: 1-methylsulfonyl-2-piperidinecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 1-methylsulfonylpiperidine-2-carboxylate Traditional Name: 1-mesylpipecolinic acid 4-phenylbutyl ester Formula: C17H25NO4S MolecularWeight: 339.4497

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCCC1C(=O)OCCCCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N1CCCCC1C(=O)OCCCCC2=CC=CC=C2

InChI

InChI=1S/C17H25NO4S/c1-23(20,21)18-13-7-5-12-16(18)17(19)22-14-8-6-11-15-9-3-2-4-10-15/h2-4,9-10,16H,5-8,11-14H2,1H3