[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(4-methoxy-3-nitro-phenyl)methanone

Systemtic Name: [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(4-methoxy-3-nitro-phenyl)methanone Openeye Name: [4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-yl]-(4-methoxy-3-nitro-phenyl)methanone CAS Name: [4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]-(4-methoxy-3-nitrophenyl)methanone IUPAC Name: [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(4-methoxy-3-nitrophenyl)methanone Traditional Name: [4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazino]-(4-methoxy-3-nitro-phenyl)methanone Formula: C17H20N4O7S MolecularWeight: 424.4283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O7S/c1-11-16(12(2)28-18-11)29(25,26)20-8-6-19(7-9-20)17(22)13-4-5-15(27-3)14(10-13)21(23)24/h4-5,10H,6-9H2,1-3H3