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

Systemtic Name: (4-azanyl-3-nitro-phenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methanone Openeye Name: (4-amino-3-nitro-phenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methanone CAS Name: (4-amino-3-nitrophenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]methanone IUPAC Name: (4-amino-3-nitrophenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methanone Traditional Name: (4-amino-3-nitro-phenyl)-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]methanone Formula: C19H20N4O7S MolecularWeight: 448.4497

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H20N4O7S/c20-15-3-1-13(11-16(15)23(25)26)19(24)21-5-7-22(8-6-21)31(27,28)14-2-4-17-18(12-14)30-10-9-29-17/h1-4,11-12H,5-10,20H2