ethyl 4-[4-[(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[oxo-[(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)amino]methyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C24H25N5O7S3 MolecularWeight: 591.6796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)N)CC#C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)N)CC#C

InChI

InChI=1S/C24H25N5O7S3/c1-3-11-29-20-10-9-19(38(25,32)33)16-21(20)37-23(29)26-22(30)17-5-7-18(8-6-17)39(34,35)28-14-12-27(13-15-28)24(31)36-4-2/h1,5-10,16H,4,11-15H2,2H3,(H2,25,32,33)