2-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-4-piperidyl]-1,3-benzothiazole CAS Name: 2-[1-[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonyl-4-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-(4-pyrrolidinosulfonylphenyl)sulfonyl-4-piperidyl]-1,3-benzothiazole Formula: C22H25N3O4S3 MolecularWeight: 491.6466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H25N3O4S3/c26-31(27,24-13-3-4-14-24)18-7-9-19(10-8-18)32(28,29)25-15-11-17(12-16-25)22-23-20-5-1-2-6-21(20)30-22/h1-2,5-10,17H,3-4,11-16H2