(7-chloranyl-1,3-benzodioxol-5-yl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(4-mesyl-2-nitro-phenyl)piperazino]methanone Formula: C19H18ClN3O7S MolecularWeight: 467.88012

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCO4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN3O7S/c1-31(27,28)13-2-3-15(16(10-13)23(25)26)21-4-6-22(7-5-21)19(24)12-8-14(20)18-17(9-12)29-11-30-18/h2-3,8-10H,4-7,11H2,1H3