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

Systemtic Name: [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazino]-(4-nitrophenyl)methanone Formula: C16H18N4O6S MolecularWeight: 394.40232

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O6S/c1-11-15(12(2)26-17-11)27(24,25)19-9-7-18(8-10-19)16(21)13-3-5-14(6-4-13)20(22)23/h3-6H,7-10H2,1-2H3