5-azanylpentanoyl 1-[3-phenyl-2-(propanoylamino)phenyl]sulfonylpiperidine-2-carboxylate

Systemtic Name: 5-azanylpentanoyl 1-[3-phenyl-2-(propanoylamino)phenyl]sulfonylpiperidine-2-carboxylate Openeye Name: 5-aminopentanoyl 1-[3-phenyl-2-(propanoylamino)phenyl]sulfonylpiperidine-2-carboxylate CAS Name: 1-[2-(1-oxopropylamino)-3-phenylphenyl]sulfonyl-2-piperidinecarboxylic acid (5-amino-1-oxopentyl) ester IUPAC Name: 5-aminopentanoyl 1-[3-phenyl-2-(propanoylamino)phenyl]sulfonylpiperidine-2-carboxylate Traditional Name: 1-(3-phenyl-2-propionamido-phenyl)sulfonylpipecolinic acid 5-aminopentanoyl ester Formula: C26H33N3O6S MolecularWeight: 515.62172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC=C1S(=O)(=O)N2CCCCC2C(=O)OC(=O)CCCCN)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC1=C(C=CC=C1S(=O)(=O)N2CCCCC2C(=O)OC(=O)CCCCN)C3=CC=CC=C3

InChI

InChI=1S/C26H33N3O6S/c1-2-23(30)28-25-20(19-11-4-3-5-12-19)13-10-15-22(25)36(33,34)29-18-9-7-14-21(29)26(32)35-24(31)16-6-8-17-27/h3-5,10-13,15,21H,2,6-9,14,16-18,27H2,1H3,(H,28,30)