ethyl 4-[4-(benzo[e][1,3]benzothiazol-2-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(benzo[e][1,3]benzothiazol-2-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(benzo[e][1,3]benzothiazol-2-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[(2-benzo[e][1,3]benzothiazolylamino)-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(benzo[e][1,3]benzothiazol-2-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-(benzo[e][1,3]benzothiazol-2-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C25H24N4O5S2 MolecularWeight: 524.61186

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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=CC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

InChI

InChI=1S/C25H24N4O5S2/c1-2-34-25(31)28-13-15-29(16-14-28)36(32,33)19-10-7-18(8-11-19)23(30)27-24-26-22-20-6-4-3-5-17(20)9-12-21(22)35-24/h3-12H,2,13-16H2,1H3,(H,26,27,30)