2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[(2-chloro-5-nitro-benzyl)-methyl-amino]-1-(4-mesylpiperazino)ethanone Formula: C15H21ClN4O5S MolecularWeight: 404.86904

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C15H21ClN4O5S/c1-17(10-12-9-13(20(22)23)3-4-14(12)16)11-15(21)18-5-7-19(8-6-18)26(2,24)25/h3-4,9H,5-8,10-11H2,1-2H3