2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methoxy-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[4-[(1,5-dimethyl-4-pyrazolyl)sulfonyl]-1-piperazinyl]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazino]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C18H24N6O6S MolecularWeight: 452.48476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O6S/c1-13-17(11-19-21(13)2)31(28,29)23-8-6-22(7-9-23)12-18(25)20-15-5-4-14(30-3)10-16(15)24(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,20,25)