4-phenylbutyl 1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidine-2-carboxylate

Systemtic Name: 4-phenylbutyl 1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidine-2-carboxylate Openeye Name: 4-phenylbutyl 1-[[5-(dimethylamino)-1-naphthyl]sulfonyl]piperidine-2-carboxylate CAS Name: 1-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-2-piperidinecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidine-2-carboxylate Traditional Name: 1-naphthionylpipecolinic acid 4-phenylbutyl ester Formula: C28H34N2O4S MolecularWeight: 494.64556

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCCCC3C(=O)OCCCCC4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCCCC3C(=O)OCCCCC4=CC=CC=C4

InChI

InChI=1S/C28H34N2O4S/c1-29(2)25-18-10-16-24-23(25)15-11-19-27(24)35(32,33)30-20-8-6-17-26(30)28(31)34-21-9-7-14-22-12-4-3-5-13-22/h3-5,10-13,15-16,18-19,26H,6-9,14,17,20-21H2,1-2H3