2-(dimethylamino)-1-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(dimethylamino)-1-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]ethanone Openeye Name: 2-(dimethylamino)-1-[4-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperazin-1-yl]ethanone CAS Name: 2-(dimethylamino)-1-[4-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(dimethylamino)-1-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-yl]ethanone Traditional Name: 2-(dimethylamino)-1-[4-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]piperazino]ethanone Formula: C20H31N5O5S MolecularWeight: 453.55564

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H31N5O5S/c1-16-6-8-24(9-7-16)31(29,30)17-4-5-18(19(14-17)25(27)28)22-10-12-23(13-11-22)20(26)15-21(2)3/h4-5,14,16H,6-13,15H2,1-3H3