4-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonyl-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonyl-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]-1,3-dihydroquinoxalin-2-one Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC(=O)NC4=CC=CC=C43)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC(=O)NC4=CC=CC=C43)Cl

InChI

InChI=1S/C21H22ClN3O4S/c22-16-10-9-15(13-19(16)30(28,29)24-11-5-1-2-6-12-24)21(27)25-14-20(26)23-17-7-3-4-8-18(17)25/h3-4,7-10,13H,1-2,5-6,11-12,14H2,(H,23,26)