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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(4-bromophenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-(4-bromophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-(4-bromophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-brosyl-pyrrolidine-2-carboxamide Formula: C18H16BrN3O3S2 MolecularWeight: 466.37194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O3S2/c19-12-7-9-13(10-8-12)27(24,25)22-11-3-5-15(22)17(23)21-18-20-14-4-1-2-6-16(14)26-18/h1-2,4,6-10,15H,3,5,11H2,(H,20,21,23)