ethyl 4-[4-[(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C22H23ClN4O5S2 MolecularWeight: 523.02482

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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=NC4=C(C=CC(=C4S3)Cl)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(C=CC(=C4S3)Cl)C

InChI

InChI=1S/C22H23ClN4O5S2/c1-3-32-22(29)26-10-12-27(13-11-26)34(30,31)16-7-5-15(6-8-16)20(28)25-21-24-18-14(2)4-9-17(23)19(18)33-21/h4-9H,3,10-13H2,1-2H3,(H,24,25,28)