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

Systemtic Name: methyl 2-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazino]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C29H35N3O5S2 MolecularWeight: 569.7353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C29H35N3O5S2/c1-20-6-8-21(9-7-20)24-19-38-27(26(24)28(34)37-5)30-25(33)18-31-14-16-32(17-15-31)39(35,36)23-12-10-22(11-13-23)29(2,3)4/h6-13,19H,14-18H2,1-5H3,(H,30,33)