2-[4-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(3-chloro-4-methyl-5-nitro-phenyl)sulfonylpiperazino]-1-piperidino-ethanone Formula: C18H25ClN4O5S MolecularWeight: 444.9329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC(=O)N3CCCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC(=O)N3CCCCC3)Cl

InChI

InChI=1S/C18H25ClN4O5S/c1-14-16(19)11-15(12-17(14)23(25)26)29(27,28)22-9-7-20(8-10-22)13-18(24)21-5-3-2-4-6-21/h11-12H,2-10,13H2,1H3