ethyl 4-[4-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)hydrazo]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C23H27N5O5S2 MolecularWeight: 517.62098

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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=C(C=C4S3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O5S2/c1-4-33-23(30)27-9-11-28(12-10-27)35(31,32)18-7-5-17(6-8-18)21(29)25-26-22-24-20-16(3)13-15(2)14-19(20)34-22/h5-8,13-14H,4,9-12H2,1-3H3,(H,24,26)(H,25,29)