(E)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-3-(1-phenyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-nosylpiperazino)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Formula: C22H21N5O5S MolecularWeight: 467.49764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O5S/c28-22(11-6-18-16-23-26(17-18)19-4-2-1-3-5-19)24-12-14-25(15-13-24)33(31,32)21-9-7-20(8-10-21)27(29)30/h1-11,16-17H,12-15H2/b11-6+