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

Systemtic Name: (E)-3-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-1-[4-(2-thienylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-1-[4-(2-thienylsulfonyl)piperazino]prop-2-en-1-one Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C=CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)/C=C/C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H25N3O4S2/c1-17-15-19(18(2)25(17)16-20-5-3-13-29-20)7-8-21(26)23-9-11-24(12-10-23)31(27,28)22-6-4-14-30-22/h3-8,13-15H,9-12,16H2,1-2H3/b8-7+