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

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-nosylpiperazino)methanone Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O7S/c24-20(15-2-7-18-19(14-15)30-13-1-12-29-18)21-8-10-22(11-9-21)31(27,28)17-5-3-16(4-6-17)23(25)26/h2-7,14H,1,8-13H2