3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: 3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 3-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-1-[4-(2-thienylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: 3-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-2-propen-1-one IUPAC Name: 3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: 3-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-1-[4-(2-thienylsulfonyl)piperazino]prop-2-en-1-one Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NOC(=C2)C)C)C=CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(N1C2=NOC(=C2)C)C)C=CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H24N4O4S2/c1-15-13-18(17(3)25(15)19-14-16(2)29-22-19)6-7-20(26)23-8-10-24(11-9-23)31(27,28)21-5-4-12-30-21/h4-7,12-14H,8-11H2,1-3H3