ethyl 4-[4-[[3-(3-ethoxy-3-oxidanylidene-propyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[3-(3-ethoxy-3-oxidanylidene-propyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[3-(3-ethoxy-3-oxo-propyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[[3-(3-ethoxy-3-oxopropyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[3-(3-ethoxy-3-oxopropyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[[3-(3-ethoxy-3-keto-propyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C26H31N5O9S3 MolecularWeight: 653.74744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C26H31N5O9S3/c1-3-39-23(32)11-12-31-21-10-9-20(42(27,35)36)17-22(21)41-25(31)28-24(33)18-5-7-19(8-6-18)43(37,38)30-15-13-29(14-16-30)26(34)40-4-2/h5-10,17H,3-4,11-16H2,1-2H3,(H2,27,35,36)