4-[3-(azepan-1-ylcarbonyl)-4-methoxy-phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[3-(azepan-1-ylcarbonyl)-4-methoxy-phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[3-(azepane-1-carbonyl)-4-methoxy-phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one CAS Name: 4-[3-[1-azepanyl(oxo)methyl]-4-methoxyphenyl]sulfonyl-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[3-(azepane-1-carbonyl)-4-methoxyphenyl]sulfonyl-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[3-(azepane-1-carbonyl)-4-methoxy-phenyl]sulfonyl-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)N2CC(=O)NC3=CC=CC=C32)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC(=O)NC3=CC=CC=C32)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N3O5S/c1-30-20-11-10-16(14-17(20)22(27)24-12-6-2-3-7-13-24)31(28,29)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)