ethyl 4-[[2-(phenylsulfonylamino)-1,3-benzothiazol-6-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[2-(phenylsulfonylamino)-1,3-benzothiazol-6-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(benzenesulfonamido)-1,3-benzothiazole-6-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(benzenesulfonamido)-1,3-benzothiazole-6-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(benzenesulfonamido)-1,3-benzothiazole-6-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4

InChI

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