4-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzenesulfonamide

Systemtic Name: 4-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzenesulfonamide Openeye Name: 4-[[2-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]benzenesulfonamide CAS Name: 4-[[2-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]benzenesulfonamide IUPAC Name: 4-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 4-[2-(1,3-benzothiazol-2-yl)piperidino]sulfonylbenzenesulfonamide Formula: C18H19N3O4S3 MolecularWeight: 437.55616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C18H19N3O4S3/c19-27(22,23)13-8-10-14(11-9-13)28(24,25)21-12-4-3-6-16(21)18-20-15-5-1-2-7-17(15)26-18/h1-2,5,7-11,16H,3-4,6,12H2,(H2,19,22,23)