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

Systemtic Name: ethyl 4-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[(1,3-benzothiazol-2-ylamino)-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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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=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O5S2/c1-2-30-21(27)24-11-13-25(14-12-24)32(28,29)16-9-7-15(8-10-16)19(26)23-20-22-17-5-3-4-6-18(17)31-20/h3-10H,2,11-14H2,1H3,(H,22,23,26)