[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-(2-chloro-5-pyrrolidinosulfonyl-phenyl)methanone Formula: C23H24ClN3O3S2 MolecularWeight: 490.03796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3O3S2/c24-19-10-9-17(32(29,30)27-12-3-4-13-27)14-18(19)23(28)26-11-5-6-16(15-26)22-25-20-7-1-2-8-21(20)31-22/h1-2,7-10,14,16H,3-6,11-13,15H2/t16-/m0/s1