methyl 3-[4-(3-phenylpropyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(3-phenylpropyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-(3-phenylpropyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-(3-phenylpropyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(3-phenylpropyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(3-phenylpropyl)piperazino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C19H24N2O4S2 MolecularWeight: 408.53486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)CCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C19H24N2O4S2/c1-25-19(22)18-17(9-15-26-18)27(23,24)21-13-11-20(12-14-21)10-5-8-16-6-3-2-4-7-16/h2-4,6-7,9,15H,5,8,10-14H2,1H3