2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2-benzothiazol-3-one

Systemtic Name: 2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2-benzothiazol-3-one Openeye Name: 2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2-benzothiazol-3-one CAS Name: 2-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1,2-benzothiazol-3-one IUPAC Name: 2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2-benzothiazol-3-one Traditional Name: 2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2-benzothiazol-3-one Formula: C16H18N3O3S3+ MolecularWeight: 396.52742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C16H17N3O3S3/c20-16-13-4-1-2-5-14(13)24-19(16)12-17-7-9-18(10-8-17)25(21,22)15-6-3-11-23-15/h1-6,11H,7-10,12H2/p+1