4-phenylbutyl 1-(phenylmethyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: 4-phenylbutyl 1-(phenylmethyl)sulfonylpiperidine-2-carboxylate Openeye Name: 4-phenylbutyl 1-benzylsulfonylpiperidine-2-carboxylate CAS Name: 1-(phenylmethyl)sulfonyl-2-piperidinecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 1-benzylsulfonylpiperidine-2-carboxylate Traditional Name: 1-benzylsulfonylpipecolinic acid 4-phenylbutyl ester Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCCCCC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)OCCCCC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H29NO4S/c25-23(28-18-10-8-13-20-11-3-1-4-12-20)22-16-7-9-17-24(22)29(26,27)19-21-14-5-2-6-15-21/h1-6,11-12,14-15,22H,7-10,13,16-19H2