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

Systemtic Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-benzothiazol-3-one Openeye Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-benzothiazol-3-one CAS Name: 2-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,2-benzothiazol-3-one IUPAC Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-benzothiazol-3-one Traditional Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-benzothiazol-3-one Formula: C22H28N3O3S2+ MolecularWeight: 446.60602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4S3

InChI

InChI=1S/C22H27N3O3S2/c1-22(2,3)17-8-10-18(11-9-17)30(27,28)24-14-12-23(13-15-24)16-25-21(26)19-6-4-5-7-20(19)29-25/h4-11H,12-16H2,1-3H3/p+1