(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-[4-(benzenesulfonyl)-1-piperazinyl]-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-besylpiperazino)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-en-1-one Formula: C23H23ClN4O3S MolecularWeight: 470.97172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H23ClN4O3S/c1-18-21(23(24)28(25-18)19-8-4-2-5-9-19)12-13-22(29)26-14-16-27(17-15-26)32(30,31)20-10-6-3-7-11-20/h2-13H,14-17H2,1H3/b13-12+