3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-N-cyclopropyl-benzenesulfonamide

Systemtic Name: 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-N-cyclopropyl-benzenesulfonamide Openeye Name: 3-[[4-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]-N-cyclopropyl-benzenesulfonamide CAS Name: 3-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]-N-cyclopropylbenzenesulfonamide IUPAC Name: 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-N-cyclopropylbenzenesulfonamide Traditional Name: 3-[4-(1,3-benzothiazol-2-yl)piperidino]sulfonyl-N-cyclopropyl-benzenesulfonamide Formula: C21H23N3O4S3 MolecularWeight: 477.62002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC1NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H23N3O4S3/c25-30(26,23-16-8-9-16)17-4-3-5-18(14-17)31(27,28)24-12-10-15(11-13-24)21-22-19-6-1-2-7-20(19)29-21/h1-7,14-16,23H,8-13H2