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

Systemtic Name: methyl 3-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-[(4-tert-butylphenyl)methyl]-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(4-tert-butylbenzyl)piperazino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C21H28N2O4S2/c1-21(2,3)17-7-5-16(6-8-17)15-22-10-12-23(13-11-22)29(25,26)18-9-14-28-19(18)20(24)27-4/h5-9,14H,10-13,15H2,1-4H3