N-[1-(cyclopentylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(cyclopentylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(cyclopentylcarbamoyl)-3-methylsulfanyl-propyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(cyclopentylamino)-4-(methylthio)-1-oxobutan-2-yl]-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(cyclopentylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(cyclopentylcarbamoyl)-3-(methylthio)propyl]-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C22H32FN3O4S2 MolecularWeight: 485.635583

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1CCCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CSCCC(C(=O)NC1CCCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H32FN3O4S2/c1-31-15-12-20(22(28)24-18-4-2-3-5-18)25-21(27)16-10-13-26(14-11-16)32(29,30)19-8-6-17(23)7-9-19/h6-9,16,18,20H,2-5,10-15H2,1H3,(H,24,28)(H,25,27)