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

Systemtic Name: pentyl 1,4-bis(azanyl)-3-sulfonyl-2-(3-thiophen-2-ylphenyl)piperidine-2-carboxylate Openeye Name: pentyl 1,4-diamino-3-sulfonyl-2-[3-(2-thienyl)phenyl]piperidine-2-carboxylate CAS Name: 1,4-diamino-3-sulfonyl-2-(3-thiophen-2-ylphenyl)-2-piperidinecarboxylic acid pentyl ester IUPAC Name: pentyl 1,4-diamino-3-sulfonyl-2-(3-thiophen-2-ylphenyl)piperidine-2-carboxylate Traditional Name: 1,4-diamino-3-sulfonyl-2-[3-(2-thienyl)phenyl]pipecolinic acid amyl ester Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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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=CS3

Isomeric SMILES

CCCCCOC(=O)C1(C(=S(=O)=O)C(CCN1N)N)C2=CC=CC(=C2)C3=CC=CS3

InChI

InChI=1S/C21H27N3O4S2/c1-2-3-4-12-28-20(25)21(19(30(26)27)17(22)10-11-24(21)23)16-8-5-7-15(14-16)18-9-6-13-29-18/h5-9,13-14,17H,2-4,10-12,22-23H2,1H3