(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-1-(4-tosylpiperazino)prop-2-en-1-one Formula: C22H29ClN4O3S MolecularWeight: 465.00866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)Cl

InChI

InChI=1S/C22H29ClN4O3S/c1-4-5-12-27-22(23)20(18(3)24-27)10-11-21(28)25-13-15-26(16-14-25)31(29,30)19-8-6-17(2)7-9-19/h6-11H,4-5,12-16H2,1-3H3/b11-10+