[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-(3-methyl-4-nitro-phenyl)methanone

Systemtic Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-(3-methyl-4-nitro-phenyl)methanone Openeye Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-(3-methyl-4-nitro-phenyl)methanone CAS Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-(3-methyl-4-nitrophenyl)methanone IUPAC Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-(3-methyl-4-nitrophenyl)methanone Traditional Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-(3-methyl-4-nitro-phenyl)methanone Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7S/c1-14-12-15(2-4-17(14)23(25)26)20(24)21-6-8-22(9-7-21)31(27,28)16-3-5-18-19(13-16)30-11-10-29-18/h2-5,12-13H,6-11H2,1H3