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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H19N3O4S3/c19-27(22,23)14-6-3-7-15(11-14)28(24,25)21-10-4-5-13(12-21)18-20-16-8-1-2-9-17(16)26-18/h1-3,6-9,11,13H,4-5,10,12H2,(H2,19,22,23)/t13-/m0/s1