4-[4-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[(1S)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C23H25N4O3S+ MolecularWeight: 437.5346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H24N4O3S/c1-16-22(20-5-3-4-6-21(20)25-16)23(28)17(2)26-11-13-27(14-12-26)31(29,30)19-9-7-18(15-24)8-10-19/h3-10,17,25H,11-14H2,1-2H3/p+1/t17-/m0/s1