(E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]-1-[4-(2-thienylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-[2,5-dimethyl-1-(2-propan-2-yl-3-pyrazolyl)-3-pyrrolyl]-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]-1-[4-(2-thienylsulfonyl)piperazino]prop-2-en-1-one Formula: C23H29N5O3S2 MolecularWeight: 487.63806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)C=CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)/C=C/C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H29N5O3S2/c1-17(2)28-21(9-10-24-28)27-18(3)16-20(19(27)4)7-8-22(29)25-11-13-26(14-12-25)33(30,31)23-6-5-15-32-23/h5-10,15-17H,11-14H2,1-4H3/b8-7+