[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)methanone

Systemtic Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)methanone Openeye Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(4-chloro-3-morpholinosulfonyl-phenyl)methanone CAS Name: [2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(4-chloro-3-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: [2-(1,3-benzothiazol-2-yl)pyrrolidino]-(4-chloro-3-morpholinosulfonyl-phenyl)methanone Formula: C22H22ClN3O4S2 MolecularWeight: 492.01078

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H22ClN3O4S2/c23-16-8-7-15(14-20(16)32(28,29)25-10-12-30-13-11-25)22(27)26-9-3-5-18(26)21-24-17-4-1-2-6-19(17)31-21/h1-2,4,6-8,14,18H,3,5,9-13H2