1-(4-methylphenyl)sulfonyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]piperidine-4-carboxamide Openeye Name: N-[(1S)-3-methylsulfanyl-1-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[(2S)-4-(methylthio)-1-oxo-1-[[(2R)-2-oxolanyl]methylamino]butan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[(2S)-4-methylsulfanyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]piperidine-4-carboxamide Traditional Name: N-[(1S)-3-(methylthio)-1-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]propyl]-1-tosyl-isonipecotamide Formula: C23H35N3O5S2 MolecularWeight: 497.6711

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)NCC3CCCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](CCSC)C(=O)NC[C@H]3CCCO3

InChI

InChI=1S/C23H35N3O5S2/c1-17-5-7-20(8-6-17)33(29,30)26-12-9-18(10-13-26)22(27)25-21(11-15-32-2)23(28)24-16-19-4-3-14-31-19/h5-8,18-19,21H,3-4,9-16H2,1-2H3,(H,24,28)(H,25,27)/t19-,21+/m1/s1