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

Systemtic Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-[3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [(3S)-3-(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(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC[C@@H](C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H25N3O3S2/c27-23(17-7-5-9-19(15-17)31(28,29)26-13-3-4-14-26)25-12-6-8-18(16-25)22-24-20-10-1-2-11-21(20)30-22/h1-2,5,7,9-11,15,18H,3-4,6,8,12-14,16H2/t18-/m0/s1