1,2-benzothiazole 1,1-dioxide; (NE)-2-chloranyl-N-[(1-methyl-2H-pyridin-5-yl)methylidene]benzenesulfonamide

Systemtic Name: 1,2-benzothiazole 1,1-dioxide; (NE)-2-chloranyl-N-[(1-methyl-2H-pyridin-5-yl)methylidene]benzenesulfonamide Openeye Name: 1,2-benzothiazole 1,1-dioxide; (NE)-2-chloro-N-[(1-methyl-2H-pyridin-5-yl)methylene]benzenesulfonamide CAS Name: 1,2-benzothiazole 1,1-dioxide; (NE)-2-chloro-N-[(1-methyl-2H-pyridin-5-yl)methylidene]benzenesulfonamide IUPAC Name: 1,2-benzothiazole 1,1-dioxide; (NE)-2-chloro-N-[(1-methyl-2H-pyridin-5-yl)methylidene]benzenesulfonamide Traditional Name: 1,2-benzothiazole 1,1-dioxide; (NE)-2-chloro-N-[(1-methyl-2H-pyridin-5-yl)methylene]benzenesulfonamide Formula: C20H18ClN3O4S2 MolecularWeight: 463.95762

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC=CC(=C1)C=NS(=O)(=O)C2=CC=CC=C2Cl.C1=CC=C2C(=C1)C=NS2(=O)=O

Isomeric SMILES

CN1CC=CC(=C1)/C=N/S(=O)(=O)C2=CC=CC=C2Cl.C1=CC=C2C(=C1)C=NS2(=O)=O

InChI

InChI=1S/C13H13ClN2O2S.C7H5NO2S/c1-16-8-4-5-11(10-16)9-15-19(17,18)13-7-3-2-6-12(13)14;9-11(10)7-4-2-1-3-6(7)5-8-11/h2-7,9-10H,8H2,1H3;1-5H/b15-9+;