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

Systemtic Name: ethyl 4-[4-[[(4-methyl-1,3-benzothiazol-2-yl)amino]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[(4-methyl-1,3-benzothiazol-2-yl)amino]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[(4-methyl-1,3-benzothiazol-2-yl)hydrazo]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[(4-methyl-1,3-benzothiazol-2-yl)amino]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[[(4-methyl-1,3-benzothiazol-2-yl)amino]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C22H25N5O5S2 MolecularWeight: 503.5944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC3=NC4=C(C=CC=C4S3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC3=NC4=C(C=CC=C4S3)C

InChI

InChI=1S/C22H25N5O5S2/c1-3-32-22(29)26-11-13-27(14-12-26)34(30,31)17-9-7-16(8-10-17)20(28)24-25-21-23-19-15(2)5-4-6-18(19)33-21/h4-10H,3,11-14H2,1-2H3,(H,23,25)(H,24,28)