(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-1-[4-(2-thienylsulfonyl)piperazino]prop-2-en-1-one Formula: C19H25ClN4O3S2 MolecularWeight: 457.0098

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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=CS3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)Cl

InChI

InChI=1S/C19H25ClN4O3S2/c1-3-4-9-24-19(20)16(15(2)21-24)7-8-17(25)22-10-12-23(13-11-22)29(26,27)18-6-5-14-28-18/h5-8,14H,3-4,9-13H2,1-2H3/b8-7+