1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-phenyl-butan-1-one

Systemtic Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-phenyl-butan-1-one Openeye Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-phenyl-butan-1-one CAS Name: 1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-3-phenyl-1-butanone IUPAC Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-3-phenylbutan-1-one Traditional Name: 1-[4-(2-nitrophenyl)sulfonylpiperazino]-3-phenyl-butan-1-one Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O5S/c1-16(17-7-3-2-4-8-17)15-20(24)21-11-13-22(14-12-21)29(27,28)19-10-6-5-9-18(19)23(25)26/h2-10,16H,11-15H2,1H3