pentyl 1-azanyl-4-(propanoylamino)-2-(3-pyridin-2-ylphenyl)-3-sulfonyl-piperidine-2-carboxylate

Systemtic Name: pentyl 1-azanyl-4-(propanoylamino)-2-(3-pyridin-2-ylphenyl)-3-sulfonyl-piperidine-2-carboxylate Openeye Name: pentyl 1-amino-4-(propanoylamino)-2-[3-(2-pyridyl)phenyl]-3-sulfonyl-piperidine-2-carboxylate CAS Name: 1-amino-4-(1-oxopropylamino)-2-[3-(2-pyridinyl)phenyl]-3-sulfonyl-2-piperidinecarboxylic acid pentyl ester IUPAC Name: pentyl 1-amino-4-(propanoylamino)-2-(3-pyridin-2-ylphenyl)-3-sulfonylpiperidine-2-carboxylate Traditional Name: 1-amino-4-propionamido-2-[3-(2-pyridyl)phenyl]-3-sulfonyl-pipecolinic acid amyl ester Formula: C25H32N4O5S MolecularWeight: 500.61038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1(C(=S(=O)=O)C(CCN1N)NC(=O)CC)C2=CC=CC(=C2)C3=CC=CC=N3

Isomeric SMILES

CCCCCOC(=O)C1(C(=S(=O)=O)C(CCN1N)NC(=O)CC)C2=CC=CC(=C2)C3=CC=CC=N3

InChI

InChI=1S/C25H32N4O5S/c1-3-5-8-16-34-24(31)25(19-11-9-10-18(17-19)20-12-6-7-14-27-20)23(35(32)33)21(13-15-29(25)26)28-22(30)4-2/h6-7,9-12,14,17,21H,3-5,8,13,15-16,26H2,1-2H3,(H,28,30)