methyl 3-[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[4-[(E)-styryl]sulfonylpiperazin-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[4-[(E)-styryl]sulfonylpiperazino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CN2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CN2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O5S2/c1-28-20(25)19-17(7-13-29-19)21-18(24)15-22-9-11-23(12-10-22)30(26,27)14-8-16-5-3-2-4-6-16/h2-8,13-14H,9-12,15H2,1H3,(H,21,24)/b14-8+