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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C21H22N4O6S2 MolecularWeight: 490.55258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H22N4O6S2/c1-31-17-12-15(25(27)28)13-18-19(17)22-21(32-18)23-20(26)14-6-8-16(9-7-14)33(29,30)24-10-4-2-3-5-11-24/h6-9,12-13H,2-5,10-11H2,1H3,(H,22,23,26)