(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methanone Formula: C20H20ClN3O7S MolecularWeight: 481.9067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O7S/c1-13-2-3-15(24(26)27)12-18(13)32(28,29)23-6-4-22(5-7-23)20(25)14-10-16(21)19-17(11-14)30-8-9-31-19/h2-3,10-12H,4-9H2,1H3