4-[1-[(3-bromophenyl)methylsulfonyl]piperidin-4-yl]carbonyl-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[1-[(3-bromophenyl)methylsulfonyl]piperidin-4-yl]carbonyl-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[[1-[(3-bromophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[1-(3-bromobenzyl)sulfonylisonipecotoyl]-1,3-dihydroquinoxalin-2-one Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC(=O)NC3=CC=CC=C32)S(=O)(=O)CC4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCC1C(=O)N2CC(=O)NC3=CC=CC=C32)S(=O)(=O)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H22BrN3O4S/c22-17-5-3-4-15(12-17)14-30(28,29)24-10-8-16(9-11-24)21(27)25-13-20(26)23-18-6-1-2-7-19(18)25/h1-7,12,16H,8-11,13-14H2,(H,23,26)