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

Systemtic Name: 5-azanylpentyl 1-[3-phenyl-2-(propanoylamino)phenyl]sulfonylpiperidine-2-carboxylate Openeye Name: 5-aminopentyl 1-[3-phenyl-2-(propanoylamino)phenyl]sulfonylpiperidine-2-carboxylate CAS Name: 1-[2-(1-oxopropylamino)-3-phenylphenyl]sulfonyl-2-piperidinecarboxylic acid 5-aminopentyl ester IUPAC Name: 5-aminopentyl 1-[3-phenyl-2-(propanoylamino)phenyl]sulfonylpiperidine-2-carboxylate Traditional Name: 1-(3-phenyl-2-propionamido-phenyl)sulfonylpipecolinic acid 5-aminopentyl ester Formula: C26H35N3O5S MolecularWeight: 501.6382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC=C1S(=O)(=O)N2CCCCC2C(=O)OCCCCCN)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC1=C(C=CC=C1S(=O)(=O)N2CCCCC2C(=O)OCCCCCN)C3=CC=CC=C3

InChI

InChI=1S/C26H35N3O5S/c1-2-24(30)28-25-21(20-12-5-3-6-13-20)14-11-16-23(25)35(32,33)29-18-9-7-15-22(29)26(31)34-19-10-4-8-17-27/h3,5-6,11-14,16,22H,2,4,7-10,15,17-19,27H2,1H3,(H,28,30)