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

Systemtic Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone Openeye Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[3-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-[3-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [2-(1,3-benzothiazol-2-yl)pyrrolidino]-(3-piperidinosulfonylphenyl)methanone Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCC3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H25N3O3S2/c27-23(17-8-6-9-18(16-17)31(28,29)25-13-4-1-5-14-25)26-15-7-11-20(26)22-24-19-10-2-3-12-21(19)30-22/h2-3,6,8-10,12,16,20H,1,4-5,7,11,13-15H2