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

Systemtic Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone Openeye Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(4-morpholinosulfonyl-1H-pyrrol-2-yl)methanone CAS Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-[4-(4-morpholinylsulfonyl)-1H-pyrrol-2-yl]methanone IUPAC Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone Traditional Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-(4-morpholinosulfonyl-1H-pyrrol-2-yl)methanone Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H24N4O4S2/c26-21(18-12-16(13-22-18)31(27,28)25-8-10-29-11-9-25)24-7-3-4-15(14-24)20-23-17-5-1-2-6-19(17)30-20/h1-2,5-6,12-13,15,22H,3-4,7-11,14H2/t15-/m0/s1