4-bromanyl-N-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-bromanyl-N-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-bromo-N-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-bromo-N-[(3-methoxyphenyl)methyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-bromo-N-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-bromo-N-m-anisyl-3-pyrrolidinosulfonyl-benzamide Formula: C19H21BrN2O4S MolecularWeight: 453.35004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H21BrN2O4S/c1-26-16-6-4-5-14(11-16)13-21-19(23)15-7-8-17(20)18(12-15)27(24,25)22-9-2-3-10-22/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,21,23)