1-(4-chloranyl-2-nitro-phenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine

Systemtic Name: 1-(4-chloranyl-2-nitro-phenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine Openeye Name: 1-(4-chloro-2-nitro-phenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine CAS Name: 1-(4-chloro-2-nitrophenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine IUPAC Name: 1-(4-chloro-2-nitrophenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine Traditional Name: 1-(4-chloro-2-nitro-phenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine Formula: C19H20ClN3O6S MolecularWeight: 453.8966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O6S/c20-14-2-4-16(17(12-14)23(24)25)21-6-8-22(9-7-21)30(26,27)15-3-5-18-19(13-15)29-11-1-10-28-18/h2-5,12-13H,1,6-11H2