(4-chloranyl-2-nitro-phenyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (4-chloranyl-2-nitro-phenyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone Openeye Name: (4-chloro-2-nitro-phenyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone CAS Name: (4-chloro-2-nitrophenyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]methanone IUPAC Name: (4-chloro-2-nitrophenyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methanone Traditional Name: (4-chloro-2-nitro-phenyl)-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]methanone Formula: C20H20ClN3O7S MolecularWeight: 481.9067

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])OC1

InChI

InChI=1S/C20H20ClN3O7S/c21-14-2-4-16(17(12-14)24(26)27)20(25)22-6-8-23(9-7-22)32(28,29)15-3-5-18-19(13-15)31-11-1-10-30-18/h2-5,12-13H,1,6-11H2