ethyl 2-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(3-fluorophenyl)sulfonylpiperazino]acetyl]amino]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H28FN3O5S2 MolecularWeight: 497.603223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C22H28FN3O5S2/c1-4-31-22(28)18-13-19(15(2)3)32-21(18)24-20(27)14-25-8-10-26(11-9-25)33(29,30)17-7-5-6-16(23)12-17/h5-7,12-13,15H,4,8-11,14H2,1-3H3,(H,24,27)