ethyl 2-[[2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-benzoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-chloro-5-(4-phenylpiperazino)sulfonyl-benzoyl]amino]-4,5-dimethyl-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(=C1C)C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C26H28ClN3O5S2/c1-4-35-26(32)23-17(2)18(3)36-25(23)28-24(31)21-16-20(10-11-22(21)27)37(33,34)30-14-12-29(13-15-30)19-8-6-5-7-9-19/h5-11,16H,4,12-15H2,1-3H3,(H,28,31)