ethyl 4-[4-[(3-cyanothiophen-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(3-cyanothiophen-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(3-cyano-2-thienyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[(3-cyano-2-thiophenyl)amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-cyanothiophen-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(3-cyano-2-thienyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C19H20N4O5S2 MolecularWeight: 448.5159

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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=CS3)C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C19H20N4O5S2/c1-2-28-19(25)22-8-10-23(11-9-22)30(26,27)16-5-3-14(4-6-16)17(24)21-18-15(13-20)7-12-29-18/h3-7,12H,2,8-11H2,1H3,(H,21,24)