4-[5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]carbonyl-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]carbonyl-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[[5-(1-azepanylsulfonyl)-2-methylphenyl]-oxomethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[5-(azepan-1-ylsulfonyl)-2-methylbenzoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl]-1,3-dihydroquinoxalin-2-one Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CC(=O)NC4=CC=CC=C43

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O4S/c1-16-10-11-17(30(28,29)24-12-6-2-3-7-13-24)14-18(16)22(27)25-15-21(26)23-19-8-4-5-9-20(19)25/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,23,26)