2-[4-[(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(1R)-2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C27H25N4O3S+ MolecularWeight: 485.5774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C27H24N4O3S/c28-18-21-10-4-7-13-25(21)35(33,34)31-16-14-30(15-17-31)26(20-8-2-1-3-9-20)27(32)23-19-29-24-12-6-5-11-22(23)24/h1-13,19,26,29H,14-17H2/p+1/t26-/m1/s1