2-[(4-bromophenyl)sulfonylamino]-N-[[4-(diethylaminomethyl)phenyl]methyl]propanamide

Systemtic Name: 2-[(4-bromophenyl)sulfonylamino]-N-[[4-(diethylaminomethyl)phenyl]methyl]propanamide Openeye Name: 2-[(4-bromophenyl)sulfonylamino]-N-[[4-(diethylaminomethyl)phenyl]methyl]propanamide CAS Name: 2-[(4-bromophenyl)sulfonylamino]-N-[[4-(diethylaminomethyl)phenyl]methyl]propanamide IUPAC Name: 2-[(4-bromophenyl)sulfonylamino]-N-[[4-(diethylaminomethyl)phenyl]methyl]propanamide Traditional Name: 2-(brosylamino)-N-[4-(diethylaminomethyl)benzyl]propionamide Formula: C21H28BrN3O3S MolecularWeight: 482.43432

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C(C)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C(C)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H28BrN3O3S/c1-4-25(5-2)15-18-8-6-17(7-9-18)14-23-21(26)16(3)24-29(27,28)20-12-10-19(22)11-13-20/h6-13,16,24H,4-5,14-15H2,1-3H3,(H,23,26)