4-phenylbutyl (2S)-1-(3-aminocarbonylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate

Systemtic Name: 4-phenylbutyl (2S)-1-(3-aminocarbonylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate Openeye Name: 4-phenylbutyl (2S)-1-[(3-carbamoyl-1-piperidyl)sulfonyl]piperidine-2-carboxylate CAS Name: (2S)-1-[(3-carbamoyl-1-piperidinyl)sulfonyl]-2-piperidinecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl (2S)-1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate Traditional Name: (2S)-1-(3-carbamoylpiperidino)sulfonylpipecolinic acid 4-phenylbutyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCCCCC2=CC=CC=C2)S(=O)(=O)N3CCCC(C3)C(=O)N

Isomeric SMILES

C1CCN([C@@H](C1)C(=O)OCCCCC2=CC=CC=C2)S(=O)(=O)N3CCCC(C3)C(=O)N

InChI

InChI=1S/C22H33N3O5S/c23-21(26)19-12-8-14-24(17-19)31(28,29)25-15-6-4-13-20(25)22(27)30-16-7-5-11-18-9-2-1-3-10-18/h1-3,9-10,19-20H,4-8,11-17H2,(H2,23,26)/t19?,20-/m0/s1