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

Systemtic Name: 1-(2-methylpiperidin-1-yl)-2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 1-(2-methyl-1-piperidyl)-2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 1-(2-methyl-1-piperidinyl)-2-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 1-(2-methylpiperidin-1-yl)-2-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[4-(4-mesyl-2-nitro-phenyl)piperazino]-1-(2-methylpiperidino)ethanone Formula: C19H28N4O5S MolecularWeight: 424.51442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O5S/c1-15-5-3-4-8-22(15)19(24)14-20-9-11-21(12-10-20)17-7-6-16(29(2,27)28)13-18(17)23(25)26/h6-7,13,15H,3-5,8-12,14H2,1-2H3