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

Systemtic Name: pentyl 1,4-bis(azanyl)-2-(3-pyridin-2-ylphenyl)-3-sulfonyl-piperidine-2-carboxylate Openeye Name: pentyl 1,4-diamino-2-[3-(2-pyridyl)phenyl]-3-sulfonyl-piperidine-2-carboxylate CAS Name: 1,4-diamino-2-[3-(2-pyridinyl)phenyl]-3-sulfonyl-2-piperidinecarboxylic acid pentyl ester IUPAC Name: pentyl 1,4-diamino-2-(3-pyridin-2-ylphenyl)-3-sulfonylpiperidine-2-carboxylate Traditional Name: 1,4-diamino-2-[3-(2-pyridyl)phenyl]-3-sulfonyl-pipecolinic acid amyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4S/c1-2-3-6-14-30-21(27)22(20(31(28)29)18(23)11-13-26(22)24)17-9-7-8-16(15-17)19-10-4-5-12-25-19/h4-5,7-10,12,15,18H,2-3,6,11,13-14,23-24H2,1H3