ethyl 4-[4-chloranyl-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-chloranyl-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-chloro-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-chloro-3-[oxo-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-chloro-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-chloro-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C22H22ClN5O5S2 MolecularWeight: 536.02358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=NN=C(S3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=NN=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C22H22ClN5O5S2/c1-2-33-22(30)27-10-12-28(13-11-27)35(31,32)16-8-9-18(23)17(14-16)19(29)24-21-26-25-20(34-21)15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H,24,26,29)