N-[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: 1-besyl-N-(4,5-dichloro-1,3-benzothiazol-2-yl)nipecotamide Formula: C19H17Cl2N3O3S2 MolecularWeight: 470.39258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=NC4=C(S3)C=CC(=C4Cl)Cl

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=NC4=C(S3)C=CC(=C4Cl)Cl

InChI

InChI=1S/C19H17Cl2N3O3S2/c20-14-8-9-15-17(16(14)21)22-19(28-15)23-18(25)12-5-4-10-24(11-12)29(26,27)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11H2,(H,22,23,25)