ethyl 5-(4-bromophenyl)-3-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-(4-bromophenyl)-3-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(4-bromophenyl)-3-[[2-[2-methyl-5-(1-piperidylsulfonyl)anilino]acetyl]amino]thiophene-2-carboxylate CAS Name: 5-(4-bromophenyl)-3-[[2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-bromophenyl)-3-[[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetyl]amino]thiophene-2-carboxylate Traditional Name: 5-(4-bromophenyl)-3-[[2-(2-methyl-5-piperidinosulfonyl-anilino)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C27H30BrN3O5S2 MolecularWeight: 620.5782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Br)NC(=O)CNC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Br)NC(=O)CNC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C27H30BrN3O5S2/c1-3-36-27(33)26-23(16-24(37-26)19-8-10-20(28)11-9-19)30-25(32)17-29-22-15-21(12-7-18(22)2)38(34,35)31-13-5-4-6-14-31/h7-12,15-16,29H,3-6,13-14,17H2,1-2H3,(H,30,32)