N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-N-methyl-thiophene-2-sulfonamide

Systemtic Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-N-methyl-thiophene-2-sulfonamide Openeye Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-N-methyl-thiophene-2-sulfonamide CAS Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-N-methyl-2-thiophenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide Traditional Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-N-methyl-thiophene-2-sulfonamide Formula: C19H23N4O3S3+ MolecularWeight: 451.60592

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN(CC(=O)N1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H22N4O3S3/c1-21(29(25,26)19-7-4-12-27-19)14-18(24)23-10-8-22(9-11-23)13-17-20-15-5-2-3-6-16(15)28-17/h2-7,12H,8-11,13-14H2,1H3/p+1