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

Systemtic Name: [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazino]-(3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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