1-(3,5-dimethylpiperidin-1-yl)-2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 1-(3,5-dimethyl-1-piperidyl)-2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 1-(3,5-dimethyl-1-piperidinyl)-2-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 1-(3,5-dimethylpiperidino)-2-[4-(4-mesyl-2-nitro-phenyl)piperazino]ethanone Formula: C20H30N4O5S MolecularWeight: 438.541

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H30N4O5S/c1-15-10-16(2)13-23(12-15)20(25)14-21-6-8-22(9-7-21)18-5-4-17(30(3,28)29)11-19(18)24(26)27/h4-5,11,15-16H,6-10,12-14H2,1-3H3