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

Systemtic Name: 4-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-[3-(3,5-dimethylisoxazol-4-yl)propanoyl]piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[3-(3,5-dimethyl-4-isoxazolyl)-1-oxopropyl]-1-piperazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperazin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-[3-(3,5-dimethylisoxazol-4-yl)propanoyl]piperazino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C22H31N5O6S MolecularWeight: 493.57644

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCC3=C(ON=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCC3=C(ON=C3C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H31N5O6S/c1-5-26(6-2)34(31,32)18-7-9-20(21(15-18)27(29)30)24-11-13-25(14-12-24)22(28)10-8-19-16(3)23-33-17(19)4/h7,9,15H,5-6,8,10-14H2,1-4H3