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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-2-19(16-7-4-3-5-8-16)20(24)21-11-13-22(14-12-21)29(27,28)18-10-6-9-17(15-18)23(25)26/h3-10,15,19H,2,11-14H2,1H3