5-(dimethylamino)-N-[2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethyl]naphthalene-1-sulfonamide

Systemtic Name: 5-(dimethylamino)-N-[2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethyl]naphthalene-1-sulfonamide Openeye Name: 5-(dimethylamino)-N-[2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethyl]naphthalene-1-sulfonamide CAS Name: 5-(dimethylamino)-N-[2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)thio]ethyl]-1-naphthalenesulfonamide IUPAC Name: 5-(dimethylamino)-N-[2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethyl]naphthalene-1-sulfonamide Traditional Name: 5-(dimethylamino)-N-[2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)thio]ethyl]naphthalene-1-sulfonamide Formula: C22H24N3O2S3+ MolecularWeight: 458.63986

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)SCCNS(=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)SCCNS(=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C

InChI

InChI=1S/C22H24N3O2S3/c1-24(2)18-11-6-9-17-16(18)8-7-13-21(17)30(26,27)23-14-15-28-22-25(3)19-10-4-5-12-20(19)29-22/h4-13,23H,14-15H2,1-3H3/q+1