N-(5-chloranyl-2-nitro-phenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-nitro-phenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanamide Openeye Name: N-(5-chloro-2-nitro-phenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-(5-chloro-2-nitrophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]acetamide IUPAC Name: N-(5-chloro-2-nitrophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]acetamide Traditional Name: N-(5-chloro-2-nitro-phenyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]acetamide Formula: C20H21ClN4O7S MolecularWeight: 496.92134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-])S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-])S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H21ClN4O7S/c21-14-1-3-17(25(27)28)16(11-14)22-20(26)13-23-5-7-24(8-6-23)33(29,30)15-2-4-18-19(12-15)32-10-9-31-18/h1-4,11-12H,5-10,13H2,(H,22,26)