N-[6-bromanyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-(4-chlorophenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[6-bromanyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-(4-chlorophenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-(4-chlorophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-(4-chlorophenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C21H21BrClN3O4S2 MolecularWeight: 558.89614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21BrClN3O4S2/c1-30-12-11-25-17-9-4-14(22)13-19(17)31-21(25)24-20(27)18-3-2-10-26(18)32(28,29)16-7-5-15(23)6-8-16/h4-9,13,18H,2-3,10-12H2,1H3