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

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(4-bromo-N-mesyl-3-methyl-anilino)-N-(4-pyrrolidinobenzyl)acetamide Formula: C21H26BrN3O3S MolecularWeight: 480.41844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CC(=O)NCC2=CC=C(C=C2)N3CCCC3)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(CC(=O)NCC2=CC=C(C=C2)N3CCCC3)S(=O)(=O)C)Br

InChI

InChI=1S/C21H26BrN3O3S/c1-16-13-19(9-10-20(16)22)25(29(2,27)28)15-21(26)23-14-17-5-7-18(8-6-17)24-11-3-4-12-24/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,23,26)