4-cyclohexyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-cyclohexyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-cyclohexyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-cyclohexyl-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-cyclohexyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-cyclohexyl-1-[4-(3-nitrophenyl)sulfonylpiperazino]butan-1-one Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H29N3O5S/c24-20(11-4-8-17-6-2-1-3-7-17)21-12-14-22(15-13-21)29(27,28)19-10-5-9-18(16-19)23(25)26/h5,9-10,16-17H,1-4,6-8,11-15H2