1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]-3,3-dimethyl-butan-1-one Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O6S/c1-17(2,3)12-16(21)18-7-9-19(10-8-18)27(24,25)13-5-6-15(26-4)14(11-13)20(22)23/h5-6,11H,7-10,12H2,1-4H3