4-methyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pentan-1-one

Systemtic Name: 4-methyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pentan-1-one Openeye Name: 4-methyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pentan-1-one CAS Name: 4-methyl-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-1-pentanone IUPAC Name: 4-methyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pentan-1-one Traditional Name: 4-methyl-1-[4-(3-nitrophenyl)sulfonylpiperazino]pentan-1-one Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O5S/c1-13(2)6-7-16(20)17-8-10-18(11-9-17)25(23,24)15-5-3-4-14(12-15)19(21)22/h3-5,12-13H,6-11H2,1-2H3