2-(4-bromanyl-2,6-dimethyl-phenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 2-(4-bromanyl-2,6-dimethyl-phenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-(4-bromo-2,6-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C)Br

InChI

InChI=1S/C21H25BrN2O4S/c1-14-12-17(22)13-15(2)20(14)28-16(3)21(25)23-18-6-8-19(9-7-18)29(26,27)24-10-4-5-11-24/h6-9,12-13,16H,4-5,10-11H2,1-3H3,(H,23,25)