(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: (2S)-N-[2-(1H-indol-3-yl)ethyl]-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: (2S)-N-[2-(1H-indol-3-yl)ethyl]-4-(methylthio)-2-(tosylamino)butyramide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCSC)C(=O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C22H27N3O3S2/c1-16-7-9-18(10-8-16)30(27,28)25-21(12-14-29-2)22(26)23-13-11-17-15-24-20-6-4-3-5-19(17)20/h3-10,15,21,24-25H,11-14H2,1-2H3,(H,23,26)/t21-/m0/s1