methyl 5-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[3-(4-ethylphenyl)-1-oxopropyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[3-(4-ethylphenyl)propanoyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)OC

InChI

InChI=1S/C21H26N2O5S2/c1-3-16-4-6-17(7-5-16)8-9-19(24)22-10-12-23(13-11-22)30(26,27)20-14-18(15-29-20)21(25)28-2/h4-7,14-15H,3,8-13H2,1-2H3