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

Systemtic Name: methyl 2-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazino]acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid methyl ester Formula: C29H35N3O6S2 MolecularWeight: 585.7347

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)OC)C(=O)OC

InChI

InChI=1S/C29H35N3O6S2/c1-29(2,3)21-8-12-23(13-9-21)40(35,36)32-16-14-31(15-17-32)18-25(33)30-27-26(28(34)38-5)24(19-39-27)20-6-10-22(37-4)11-7-20/h6-13,19H,14-18H2,1-5H3,(H,30,33)