methyl 5-[4-[4-(3-methylbutoxy)phenyl]carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[4-(3-methylbutoxy)phenyl]carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-(4-isopentyloxybenzoyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[[4-(3-methylbutoxy)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[4-(3-methylbutoxy)benzoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-(4-isoamoxybenzoyl)piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C22H28N2O6S2 MolecularWeight: 480.59752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6S2/c1-16(2)8-13-30-19-6-4-17(5-7-19)21(25)23-9-11-24(12-10-23)32(27,28)20-14-18(15-31-20)22(26)29-3/h4-7,14-16H,8-13H2,1-3H3