methyl 5-[4-[4-(4-ethoxyphenoxy)butanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[4-(4-ethoxyphenoxy)butanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[4-(4-ethoxyphenoxy)butanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[4-(4-ethoxyphenoxy)-1-oxobutyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[4-(4-ethoxyphenoxy)butanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[4-(4-ethoxyphenoxy)butanoyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C22H28N2O7S2 MolecularWeight: 496.59692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)OC

InChI

InChI=1S/C22H28N2O7S2/c1-3-30-18-6-8-19(9-7-18)31-14-4-5-20(25)23-10-12-24(13-11-23)33(27,28)21-15-17(16-32-21)22(26)29-2/h6-9,15-16H,3-5,10-14H2,1-2H3