(3S)-N-(1,3-benzothiazol-2-yl)-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(1,3-benzothiazol-2-yl)-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(1,3-benzothiazol-2-yl)-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(1,3-benzothiazol-2-yl)-1-(4-bromophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1,3-benzothiazol-2-yl)-1-(4-bromophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(1,3-benzothiazol-2-yl)-1-brosyl-nipecotamide Formula: C19H18BrN3O3S2 MolecularWeight: 480.39852

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18BrN3O3S2/c20-14-7-9-15(10-8-14)28(25,26)23-11-3-4-13(12-23)18(24)22-19-21-16-5-1-2-6-17(16)27-19/h1-2,5-10,13H,3-4,11-12H2,(H,21,22,24)/t13-/m0/s1