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

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]ethanone CAS Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[(2-chloro-5-nitro-benzyl)-methyl-amino]ethanone Formula: C21H25ClN4O5S MolecularWeight: 480.965

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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)CC3=CC=CC=C3

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H25ClN4O5S/c1-23(14-18-13-19(26(28)29)7-8-20(18)22)15-21(27)24-9-11-25(12-10-24)32(30,31)16-17-5-3-2-4-6-17/h2-8,13H,9-12,14-16H2,1H3