2-chloranyl-N-[(2R)-1-(cyclopentylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[(2R)-1-(cyclopentylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[(1R)-1-(cyclopentylcarbamoyl)-3-methylsulfanyl-propyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[(2R)-1-(cyclopentylamino)-4-(methylthio)-1-oxobutan-2-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[(2R)-1-(cyclopentylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[(1R)-1-(cyclopentylcarbamoyl)-3-(methylthio)propyl]-4-nitro-benzamide Formula: C17H22ClN3O4S MolecularWeight: 399.89228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1CCCC1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CSCC[C@H](C(=O)NC1CCCC1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H22ClN3O4S/c1-26-9-8-15(17(23)19-11-4-2-3-5-11)20-16(22)13-7-6-12(21(24)25)10-14(13)18/h6-7,10-11,15H,2-5,8-9H2,1H3,(H,19,23)(H,20,22)/t15-/m1/s1