N-(4-bromanyl-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-(4-bromanyl-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(4-bromo-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(4-bromo-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(4-bromo-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: 1-besyl-N-(4-bromo-1,3-benzothiazol-2-yl)nipecotamide Formula: C19H18BrN3O3S2 MolecularWeight: 480.39852

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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=C4Br

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=NC4=C(S3)C=CC=C4Br

InChI

InChI=1S/C19H18BrN3O3S2/c20-15-9-4-10-16-17(15)21-19(27-16)22-18(24)13-6-5-11-23(12-13)28(25,26)14-7-2-1-3-8-14/h1-4,7-10,13H,5-6,11-12H2,(H,21,22,24)