methyl 5-methyl-4-phenyl-2-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-4-phenyl-2-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-besylpiperazino)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H27N3O5S2 MolecularWeight: 513.62898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O5S2/c1-18-22(19-9-5-3-6-10-19)23(25(30)33-2)24(34-18)26-21(29)17-27-13-15-28(16-14-27)35(31,32)20-11-7-4-8-12-20/h3-12H,13-17H2,1-2H3,(H,26,29)