N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-4-morpholinosulfonyl-benzamide CAS Name: N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-4-morpholinosulfonyl-benzamide Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5S2/c1-14(26)22-16-5-8-18-19(13-16)31-21(24(18)2)23-20(27)15-3-6-17(7-4-15)32(28,29)25-9-11-30-12-10-25/h3-8,13H,9-12H2,1-2H3,(H,22,26)