2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-benzothiazol-3-one

Systemtic Name: 2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-benzothiazol-3-one Openeye Name: 2-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-benzothiazol-3-one CAS Name: 2-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-1,2-benzothiazol-3-one IUPAC Name: 2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-benzothiazol-3-one Traditional Name: 2-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-benzothiazol-3-one Formula: C20H22N3O3S2+ MolecularWeight: 416.53698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3S2)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3S2)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3S2/c24-20-18-8-4-5-9-19(18)27-23(20)16-21-11-13-22(14-12-21)28(25,26)15-10-17-6-2-1-3-7-17/h1-10,15H,11-14,16H2/p+1/b15-10+