[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidyl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-[3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [(2R)-2-(1,3-benzothiazol-2-yl)piperidino]-(3-pyrrolidinosulfonylphenyl)methanone Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S2/c27-23(17-8-7-9-18(16-17)31(28,29)25-13-5-6-14-25)26-15-4-3-11-20(26)22-24-19-10-1-2-12-21(19)30-22/h1-2,7-10,12,16,20H,3-6,11,13-15H2/t20-/m1/s1