[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-[4-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-(4-pyrrolidinosulfonylphenyl)methanone Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

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

InChI

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