2-[(2S)-1-[2-(4-bromophenyl)sulfonylethyl]pyrrolidin-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[(2S)-1-[2-(4-bromophenyl)sulfonylethyl]pyrrolidin-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2S)-1-[2-(4-bromophenyl)sulfonylethyl]pyrrolidin-2-yl]-1,3-benzothiazole CAS Name: 2-[(2S)-1-[2-(4-bromophenyl)sulfonylethyl]-2-pyrrolidinyl]-1,3-benzothiazole IUPAC Name: 2-[(2S)-1-[2-(4-bromophenyl)sulfonylethyl]pyrrolidin-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2S)-1-(2-brosylethyl)pyrrolidin-2-yl]-1,3-benzothiazole Formula: C19H19BrN2O2S2 MolecularWeight: 451.40036

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CCS(=O)(=O)C2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@H](N(C1)CCS(=O)(=O)C2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H19BrN2O2S2/c20-14-7-9-15(10-8-14)26(23,24)13-12-22-11-3-5-17(22)19-21-16-4-1-2-6-18(16)25-19/h1-2,4,6-10,17H,3,5,11-13H2/t17-/m0/s1