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

Systemtic Name: 4-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonyl-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]-1,3-dihydroquinoxalin-2-one Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CC(=O)NC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O5S/c1-30-20-11-10-16(31(28,29)24-12-6-2-3-7-13-24)14-17(20)22(27)25-15-21(26)23-18-8-4-5-9-19(18)25/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,23,26)