1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-bromanyl-4-methyl-phenyl)pyrrolidine-2-carboxamide

Systemtic Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-bromanyl-4-methyl-phenyl)pyrrolidine-2-carboxamide Openeye Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-bromo-4-methyl-phenyl)pyrrolidine-2-carboxamide CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-bromo-4-methylphenyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-1-piazthiol-4-ylsulfonyl-pyrrolidine-2-carboxamide Formula: C18H17BrN4O3S2 MolecularWeight: 481.38658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43)Br

InChI

InChI=1S/C18H17BrN4O3S2/c1-11-7-8-13(12(19)10-11)20-18(24)15-5-3-9-23(15)28(25,26)16-6-2-4-14-17(16)22-27-21-14/h2,4,6-8,10,15H,3,5,9H2,1H3,(H,20,24)