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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Formula: C23H26N4O6S2 MolecularWeight: 518.60574

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-])OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C23H26N4O6S2/c1-3-26-21-19(33-2)14-17(27(29)30)15-20(21)34-23(26)24-22(28)16-8-10-18(11-9-16)35(31,32)25-12-6-4-5-7-13-25/h8-11,14-15H,3-7,12-13H2,1-2H3