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

Systemtic Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]naphthalene-2-sulfonamide Openeye Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]naphthalene-2-sulfonamide CAS Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-2-naphthalenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide Traditional Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]naphthalene-2-sulfonamide Formula: C24H25N4O3S2+ MolecularWeight: 481.6103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CNS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CNS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C24H24N4O3S2/c29-24(16-25-33(30,31)20-10-9-18-5-1-2-6-19(18)15-20)28-13-11-27(12-14-28)17-23-26-21-7-3-4-8-22(21)32-23/h1-10,15,25H,11-14,16-17H2/p+1