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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O7S/c24-20(15-3-1-4-16(13-15)23(25)26)21-7-9-22(10-8-21)31(27,28)17-5-6-18-19(14-17)30-12-2-11-29-18/h1,3-6,13-14H,2,7-12H2