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

Systemtic Name: N-[(2S)-1-[(4-methoxyphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-[(4-methoxyphenyl)carbamoyl]-3-methylsulfanyl-propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2S)-1-(4-methoxyanilino)-4-(methylthio)-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1-[(4-methoxyphenyl)carbamoyl]-3-(methylthio)propyl]-1-tosyl-isonipecotamide Formula: C25H33N3O5S2 MolecularWeight: 519.67662

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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)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](CCSC)C(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H33N3O5S2/c1-18-4-10-22(11-5-18)35(31,32)28-15-12-19(13-16-28)24(29)27-23(14-17-34-3)25(30)26-20-6-8-21(33-2)9-7-20/h4-11,19,23H,12-17H2,1-3H3,(H,26,30)(H,27,29)/t23-/m0/s1