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

Systemtic Name: N-[(2S)-1-[(4-fluorophenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-[(4-fluorophenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2S)-1-[(4-fluorophenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-[(4-fluorophenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1-[(4-fluorobenzyl)carbamoyl]-3-(methylthio)propyl]-1-tosyl-isonipecotamide Formula: C25H32FN3O4S2 MolecularWeight: 521.667683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CCSC)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](CCSC)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C25H32FN3O4S2/c1-18-3-9-22(10-4-18)35(32,33)29-14-11-20(12-15-29)24(30)28-23(13-16-34-2)25(31)27-17-19-5-7-21(26)8-6-19/h3-10,20,23H,11-17H2,1-2H3,(H,27,31)(H,28,30)/t23-/m0/s1