2-[(3-bromophenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(3-bromophenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(3-bromo-N-methylsulfonyl-anilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-(3-bromo-N-methylsulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(3-bromo-N-methylsulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(3-bromo-N-mesyl-anilino)-N-(4-pyrrolidinobenzyl)acetamide Formula: C20H24BrN3O3S MolecularWeight: 466.39186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrN3O3S/c1-28(26,27)24(19-6-4-5-17(21)13-19)15-20(25)22-14-16-7-9-18(10-8-16)23-11-2-3-12-23/h4-10,13H,2-3,11-12,14-15H2,1H3,(H,22,25)