2-[(2-bromophenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(2-bromophenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(2-bromo-N-methylsulfonyl-anilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-(2-bromo-N-methylsulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-bromo-N-methylsulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(2-bromo-N-mesyl-anilino)-N-(4-pyrrolidinobenzyl)acetamide Formula: C20H24BrN3O3S MolecularWeight: 466.39186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCCC2)C3=CC=CC=C3Br

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCCC2)C3=CC=CC=C3Br

InChI

InChI=1S/C20H24BrN3O3S/c1-28(26,27)24(19-7-3-2-6-18(19)21)15-20(25)22-14-16-8-10-17(11-9-16)23-12-4-5-13-23/h2-3,6-11H,4-5,12-15H2,1H3,(H,22,25)