(E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1-(4-ethylpiperazin-4-ium-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1-(4-ethylpiperazin-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(4-indolin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1-(4-ethyl-1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1-(4-ethylpiperazin-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(4-indolin-1-ylsulfonylphenyl)prop-2-en-1-one Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O3S/c1-2-24-15-17-25(18-16-24)23(27)12-9-19-7-10-21(11-8-19)30(28,29)26-14-13-20-5-3-4-6-22(20)26/h3-12H,2,13-18H2,1H3/p+1/b12-9+