4-(azepan-1-ylsulfonyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)OC

Isomeric SMILES

CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C22H25N3O4S2/c1-24-20-18(29-2)8-7-9-19(20)30-22(24)23-21(26)16-10-12-17(13-11-16)31(27,28)25-14-5-3-4-6-15-25/h7-13H,3-6,14-15H2,1-2H3