4-[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonyl-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonyl-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(3S)-1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[[(3S)-1-(4-bromophenyl)sulfonyl-3-piperidinyl]-oxomethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(3S)-1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(3S)-1-brosylnipecotoyl]-1,3-dihydroquinoxalin-2-one Formula: C20H20BrN3O4S MolecularWeight: 478.3595

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)N3CC(=O)NC4=CC=CC=C43

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)N3CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C20H20BrN3O4S/c21-15-7-9-16(10-8-15)29(27,28)23-11-3-4-14(12-23)20(26)24-13-19(25)22-17-5-1-2-6-18(17)24/h1-2,5-10,14H,3-4,11-13H2,(H,22,25)/t14-/m0/s1