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

Systemtic Name: ethyl 4-[4-[(6-acetamido-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(6-acetamido-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(6-acetamido-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[(6-acetamido-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C23H25N5O6S2 MolecularWeight: 531.6045

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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(S3)C=C(C=C4)NC(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)NC(=O)C

InChI

InChI=1S/C23H25N5O6S2/c1-3-34-23(31)27-10-12-28(13-11-27)36(32,33)18-7-4-16(5-8-18)21(30)26-22-25-19-9-6-17(24-15(2)29)14-20(19)35-22/h4-9,14H,3,10-13H2,1-2H3,(H,24,29)(H,25,26,30)