1-[[2-(phenylsulfonylamino)-1,3-benzothiazol-6-yl]carbonyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[2-(phenylsulfonylamino)-1,3-benzothiazol-6-yl]carbonyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazole-6-carbonyl]piperidine-3-carboxylic acid CAS Name: 1-[[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazole-6-carbonyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazole-6-carbonyl]nipecotic acid Formula: C20H19N3O5S2 MolecularWeight: 445.51196

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C20H19N3O5S2/c24-18(23-10-4-5-14(12-23)19(25)26)13-8-9-16-17(11-13)29-20(21-16)22-30(27,28)15-6-2-1-3-7-15/h1-3,6-9,11,14H,4-5,10,12H2,(H,21,22)(H,25,26)