4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-1-yl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazinyl]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazino]-N-methyl-3-nitro-benzenesulfonamide Formula: C17H23N5O5S MolecularWeight: 409.46002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O5S/c1-12-15(13(2)27-19-12)11-20-6-8-21(9-7-20)16-5-4-14(28(25,26)18-3)10-17(16)22(23)24/h4-5,10,18H,6-9,11H2,1-3H3