3-[(3-bromophenyl)methylsulfonylmethyl]-7-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-quinoxalin-2-one

Systemtic Name: 3-[(3-bromophenyl)methylsulfonylmethyl]-7-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 3-[(3-bromophenyl)methylsulfonylmethyl]-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-[(3-bromophenyl)methylsulfonylmethyl]-7-[oxo(1-pyrrolidinyl)methyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 3-[(3-bromophenyl)methylsulfonylmethyl]-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 3-[(3-bromobenzyl)sulfonylmethyl]-7-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Formula: C21H22BrN3O4S MolecularWeight: 492.38608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CS(=O)(=O)CC4=CC(=CC=C4)Br

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CS(=O)(=O)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H22BrN3O4S/c22-16-5-3-4-14(10-16)12-30(28,29)13-19-20(26)24-18-11-15(6-7-17(18)23-19)21(27)25-8-1-2-9-25/h3-7,10-11,19,23H,1-2,8-9,12-13H2,(H,24,26)