N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(azepan-1-ylsulfonyl)benzamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(azepan-1-ylsulfonyl)benzamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(azepan-1-ylsulfonyl)benzamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(1-azepanylsulfonyl)benzamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(azepan-1-ylsulfonyl)benzamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(azepan-1-ylsulfonyl)benzamide Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H24N4O4S2/c1-15(27)23-17-9-10-19-20(14-17)31-22(24-19)25-21(28)16-7-6-8-18(13-16)32(29,30)26-11-4-2-3-5-12-26/h6-10,13-14H,2-5,11-12H2,1H3,(H,23,27)(H,24,25,28)