(3S)-3-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dihydroindol-2-one

Systemtic Name: (3S)-3-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dihydroindol-2-one Openeye Name: (3S)-5-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonyl-3-methyl-indolin-2-one CAS Name: (3S)-3-methyl-5-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]sulfonyl]-1,3-dihydroindol-2-one IUPAC Name: (3S)-3-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonyl-1,3-dihydroindol-2-one Traditional Name: (3S)-5-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonyl-3-methyl-oxindole Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4)NC1=O

Isomeric SMILES

C[C@H]1C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4)NC1=O

InChI

InChI=1S/C22H25N3O3S/c1-17-20-16-19(9-10-21(20)23-22(17)26)29(27,28)25-14-12-24(13-15-25)11-5-8-18-6-3-2-4-7-18/h2-10,16-17H,11-15H2,1H3,(H,23,26)/p+1/b8-5+/t17-/m0/s1