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

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

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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)N5CCCC5

Isomeric SMILES

C1CCN([C@H](C1)C2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C22H25N3O4S3/c26-31(27,24-14-5-6-15-24)17-10-12-18(13-11-17)32(28,29)25-16-4-3-8-20(25)22-23-19-7-1-2-9-21(19)30-22/h1-2,7,9-13,20H,3-6,8,14-16H2/t20-/m1/s1