N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-[2-(1H-indol-3-yl)ethylcarbamoyl]-3-methylsulfanyl-propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-4-(methylthio)-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1-[2-(1H-indol-3-yl)ethylcarbamoyl]-3-(methylthio)propyl]-1-tosyl-isonipecotamide Formula: C28H36N4O4S2 MolecularWeight: 556.73984

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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)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](CCSC)C(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C28H36N4O4S2/c1-20-7-9-23(10-8-20)38(35,36)32-16-12-21(13-17-32)27(33)31-26(14-18-37-2)28(34)29-15-11-22-19-30-25-6-4-3-5-24(22)25/h3-10,19,21,26,30H,11-18H2,1-2H3,(H,29,34)(H,31,33)/t26-/m0/s1