N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-morpholinosulfonyl-benzamide CAS Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-morpholinosulfonyl-benzamide Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)N=C(S2)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)N=C(S2)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C22H21N3O4S2/c26-21(16-5-8-17(9-6-16)31(27,28)25-11-13-29-14-12-25)24-22-23-20-18-4-2-1-3-15(18)7-10-19(20)30-22/h1-6,8-9H,7,10-14H2,(H,23,24,26)