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

Systemtic Name: ethyl 1-[[2-(phenylsulfonylamino)-1,3-benzothiazol-6-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 1-[2-(benzenesulfonamido)-1,3-benzothiazole-6-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazole-6-carbonyl]isonipecotic acid ethyl ester Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5S2/c1-2-30-21(27)15-10-12-25(13-11-15)20(26)16-8-9-18-19(14-16)31-22(23-18)24-32(28,29)17-6-4-3-5-7-17/h3-9,14-15H,2,10-13H2,1H3,(H,23,24)