methyl 5-phenyl-2-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-phenyl-2-[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]ethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-[[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-p-cumenylsulfonylpiperazino)acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C27H31N3O5S2 MolecularWeight: 541.68214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C27H31N3O5S2/c1-19(2)20-9-11-22(12-10-20)37(33,34)30-15-13-29(14-16-30)18-25(31)28-26-23(27(32)35-3)17-24(36-26)21-7-5-4-6-8-21/h4-12,17,19H,13-16,18H2,1-3H3,(H,28,31)