4-(azepan-1-ylsulfonyl)-N-(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Formula: C22H24N4O6S2 MolecularWeight: 504.57916

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-])OC

Isomeric SMILES

CN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H24N4O6S2/c1-24-20-18(32-2)13-16(26(28)29)14-19(20)33-22(24)23-21(27)15-7-9-17(10-8-15)34(30,31)25-11-5-3-4-6-12-25/h7-10,13-14H,3-6,11-12H2,1-2H3