ethyl 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propanoylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-1-oxopropyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propanoylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[4-(4-chlorophenyl)sulfonylpiperazino]propanoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H28ClN3O5S2 MolecularWeight: 562.10062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H28ClN3O5S2/c1-3-35-26(32)22-17-23(19-7-5-4-6-8-19)36-25(22)28-24(31)18(2)29-13-15-30(16-14-29)37(33,34)21-11-9-20(27)10-12-21/h4-12,17-18H,3,13-16H2,1-2H3,(H,28,31)