2-bromanyl-N-(2-methyl-5-nitro-phenyl)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-bromanyl-N-(2-methyl-5-nitro-phenyl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-bromo-N-(2-methyl-5-nitro-phenyl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-bromo-N-(2-methyl-5-nitrophenyl)-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-bromo-N-(2-methyl-5-nitrophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-bromo-N-(2-methyl-5-nitro-phenyl)-5-pyrrolidinosulfonyl-benzamide Formula: C18H18BrN3O5S MolecularWeight: 468.32162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Br

InChI

InChI=1S/C18H18BrN3O5S/c1-12-4-5-13(22(24)25)10-17(12)20-18(23)15-11-14(6-7-16(15)19)28(26,27)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,23)