ethyl 4-[4-[(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(3-cyano-4,5-dimethyl-2-thienyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(3-cyano-4,5-dimethyl-2-thienyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C(=C(S3)C)C)C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C(=C(S3)C)C)C#N

InChI

InChI=1S/C21H24N4O5S2/c1-4-30-21(27)24-9-11-25(12-10-24)32(28,29)17-7-5-16(6-8-17)19(26)23-20-18(13-22)14(2)15(3)31-20/h5-8H,4,9-12H2,1-3H3,(H,23,26)