1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[4-[(E)-styryl]sulfonylpiperazino]ethyl]-methyl-ammonium Formula: C23H27N4O3S2+ MolecularWeight: 471.61548

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S2/c1-25(17-22-24-20-9-5-6-10-21(20)31-22)18-23(28)26-12-14-27(15-13-26)32(29,30)16-11-19-7-3-2-4-8-19/h2-11,16H,12-15,17-18H2,1H3/p+1/b16-11+