2-[(2S)-1-(4-bromanyl-2-chloranyl-phenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[(2S)-1-(4-bromanyl-2-chloranyl-phenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2S)-1-(4-bromo-2-chloro-phenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole CAS Name: 2-[(2S)-1-(4-bromo-2-chlorophenyl)sulfonyl-2-pyrrolidinyl]-1,3-benzothiazole IUPAC Name: 2-[(2S)-1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2S)-1-(4-bromo-2-chloro-phenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole Formula: C17H14BrClN2O2S2 MolecularWeight: 457.79226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrClN2O2S2/c18-11-7-8-16(12(19)10-11)25(22,23)21-9-3-5-14(21)17-20-13-4-1-2-6-15(13)24-17/h1-2,4,6-8,10,14H,3,5,9H2/t14-/m0/s1