N-(6-acetamido-1,3-benzothiazol-2-yl)-4-methoxy-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-methoxy-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-methoxy-3-morpholinosulfonyl-benzamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-methoxy-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-methoxy-3-morpholinosulfonyl-benzamide Formula: C21H22N4O6S2 MolecularWeight: 490.55258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H22N4O6S2/c1-13(26)22-15-4-5-16-18(12-15)32-21(23-16)24-20(27)14-3-6-17(30-2)19(11-14)33(28,29)25-7-9-31-10-8-25/h3-6,11-12H,7-10H2,1-2H3,(H,22,26)(H,23,24,27)