methyl 2-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazino]acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H31N3O5S2 MolecularWeight: 493.63934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C23H31N3O5S2/c1-16-14-19(22(28)31-5)21(32-16)24-20(27)15-25-10-12-26(13-11-25)33(29,30)18-8-6-17(7-9-18)23(2,3)4/h6-9,14H,10-13,15H2,1-5H3,(H,24,27)