1-[2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]azepan-2-one

Systemtic Name: 1-[2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]azepan-2-one Openeye Name: 1-[2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-oxo-ethyl]azepan-2-one CAS Name: 1-[2-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-2-azepanone IUPAC Name: 1-[2-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]azepan-2-one Traditional Name: 1-[2-keto-2-[4-(4-mesyl-2-nitro-phenyl)piperazino]ethyl]azepan-2-one Formula: C19H26N4O6S MolecularWeight: 438.49794

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CN3CCCCCC3=O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CN3CCCCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O6S/c1-30(28,29)15-6-7-16(17(13-15)23(26)27)20-9-11-21(12-10-20)19(25)14-22-8-4-2-3-5-18(22)24/h6-7,13H,2-5,8-12,14H2,1H3