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

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-N-cyclopropyl-benzenesulfonamide Openeye Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]-N-cyclopropyl-benzenesulfonamide CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]-N-cyclopropylbenzenesulfonamide IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-N-cyclopropylbenzenesulfonamide Traditional Name: 4-[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=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

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

InChI

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