N-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine

Systemtic Name: N-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Openeye Name: N-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine CAS Name: N-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine IUPAC Name: N-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O6S/c1-22-7-9-23(10-8-22)31(27,28)16-4-5-17(18(14-16)24(25)26)21-15-3-6-19-20(13-15)30-12-2-11-29-19/h3-6,13-14,21H,2,7-12H2,1H3