N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-morpholinosulfonyl-benzamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-morpholinosulfonyl-benzamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H21N3O4S2/c1-13-11-17-18(12-14(13)2)28-20(21-17)22-19(24)15-3-5-16(6-4-15)29(25,26)23-7-9-27-10-8-23/h3-6,11-12H,7-10H2,1-2H3,(H,21,22,24)