3-[(4-bromophenyl)sulfonylamino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]propanamide

Systemtic Name: 3-[(4-bromophenyl)sulfonylamino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]propanamide Openeye Name: 3-[(4-bromophenyl)sulfonylamino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]propanamide CAS Name: 3-[(4-bromophenyl)sulfonylamino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]propanamide IUPAC Name: 3-[(4-bromophenyl)sulfonylamino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]propanamide Traditional Name: 3-(brosylamino)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]propionamide Formula: C22H28BrN3O3S MolecularWeight: 494.44502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)Br)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCC(CNC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)Br)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H28BrN3O3S/c1-2-20(26-14-12-17-5-3-4-6-18(17)16-26)15-24-22(27)11-13-25-30(28,29)21-9-7-19(23)8-10-21/h3-10,20,25H,2,11-16H2,1H3,(H,24,27)