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

Systemtic Name: 5-azanylpentanoyl 1-[2-(3-methoxypropanoylamino)-3-phenyl-phenyl]sulfonylpiperidine-2-carboxylate Openeye Name: 5-aminopentanoyl 1-[2-(3-methoxypropanoylamino)-3-phenyl-phenyl]sulfonylpiperidine-2-carboxylate CAS Name: 1-[2-[(3-methoxy-1-oxopropyl)amino]-3-phenylphenyl]sulfonyl-2-piperidinecarboxylic acid (5-amino-1-oxopentyl) ester IUPAC Name: 5-aminopentanoyl 1-[2-(3-methoxypropanoylamino)-3-phenylphenyl]sulfonylpiperidine-2-carboxylate Traditional Name: 1-[2-(3-methoxypropanoylamino)-3-phenyl-phenyl]sulfonylpipecolinic acid 5-aminopentanoyl ester Formula: C27H35N3O7S MolecularWeight: 545.6477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O7S/c1-36-19-16-24(31)29-26-21(20-10-3-2-4-11-20)12-9-14-23(26)38(34,35)30-18-8-6-13-22(30)27(33)37-25(32)15-5-7-17-28/h2-4,9-12,14,22H,5-8,13,15-19,28H2,1H3,(H,29,31)