1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])Cl)OC1

InChI

InChI=1S/C20H22ClN3O6S/c21-16-12-15(13-18-20(16)30-11-3-10-29-18)14-22-6-8-23(9-7-22)31(27,28)19-5-2-1-4-17(19)24(25)26/h1-2,4-5,12-13H,3,6-11,14H2