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

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-1-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-1-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-1-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]prop-2-en-1-one Formula: C20H27ClN4O3S2 MolecularWeight: 471.03638

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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(S3)C)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)C)Cl

InChI

InChI=1S/C20H27ClN4O3S2/c1-4-5-10-25-20(21)17(16(3)22-25)7-8-18(26)23-11-13-24(14-12-23)30(27,28)19-9-6-15(2)29-19/h6-9H,4-5,10-14H2,1-3H3/b8-7+