3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methanone Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7S/c1-15-3-5-17(24(26)27)14-20(15)32(28,29)23-9-7-22(8-10-23)21(25)16-4-6-18-19(13-16)31-12-2-11-30-18/h3-6,13-14H,2,7-12H2,1H3