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

Systemtic Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone Openeye Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(4-morpholinosulfonylphenyl)methanone CAS Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-[4-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-(4-morpholinosulfonylphenyl)methanone Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H25N3O4S2/c27-23(17-7-9-19(10-8-17)32(28,29)26-12-14-30-15-13-26)25-11-3-4-18(16-25)22-24-20-5-1-2-6-21(20)31-22/h1-2,5-10,18H,3-4,11-16H2/t18-/m0/s1