1-(5-chloranyl-2-methyl-phenyl)-4-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]piperazine

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]piperazine Openeye Name: 1-(5-chloro-2-methyl-phenyl)-4-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]piperazine CAS Name: 1-(5-chloro-2-methylphenyl)-4-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]piperazine IUPAC Name: 1-(5-chloro-2-methylphenyl)-4-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]piperazine Traditional Name: 1-(5-chloro-2-methyl-phenyl)-4-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]piperazine Formula: C20H22ClN3O6S MolecularWeight: 467.92318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

InChI

InChI=1S/C20H22ClN3O6S/c1-14-3-4-15(21)11-16(14)22-5-7-23(8-6-22)31(27,28)20-13-19-18(12-17(20)24(25)26)29-9-2-10-30-19/h3-4,11-13H,2,5-10H2,1H3