2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzothiazole Formula: C21H26N3O2S2+ MolecularWeight: 416.58004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H25N3O2S2/c1-16(2)17-7-9-18(10-8-17)28(25,26)24-13-11-23(12-14-24)15-21-22-19-5-3-4-6-20(19)27-21/h3-10,16H,11-15H2,1-2H3/p+1