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

Systemtic Name: methyl 1-[[2-(phenylsulfonylamino)-1,3-benzothiazol-6-yl]carbonyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(benzenesulfonamido)-1,3-benzothiazole-6-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzenesulfonamido)-1,3-benzothiazole-6-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazole-6-carbonyl]isonipecotic acid methyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O5S2/c1-29-20(26)14-9-11-24(12-10-14)19(25)15-7-8-17-18(13-15)30-21(22-17)23-31(27,28)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,22,23)