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

Systemtic Name: N-[1-(2-methoxyethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(2-methoxyethylcarbamoyl)-3-methylsulfanyl-propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-(2-methoxyethylamino)-4-(methylthio)-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(2-methoxyethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(2-methoxyethylcarbamoyl)-3-(methylthio)propyl]-1-tosyl-isonipecotamide Formula: C21H33N3O5S2 MolecularWeight: 471.63382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CCSC)C(=O)NCCOC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CCSC)C(=O)NCCOC

InChI

InChI=1S/C21H33N3O5S2/c1-16-4-6-18(7-5-16)31(27,28)24-12-8-17(9-13-24)20(25)23-19(10-15-30-3)21(26)22-11-14-29-2/h4-7,17,19H,8-15H2,1-3H3,(H,22,26)(H,23,25)