1-ethyl-6-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-3-methyl-quinoxalin-2-one

Systemtic Name: 1-ethyl-6-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-3-methyl-quinoxalin-2-one Openeye Name: 1-ethyl-6-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-3-methyl-quinoxalin-2-one CAS Name: 1-ethyl-6-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-3-methyl-2-quinoxalinone IUPAC Name: 1-ethyl-6-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-3-methylquinoxalin-2-one Traditional Name: 1-ethyl-6-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-3-methyl-quinoxalin-2-one Formula: C23H25FN4O4S MolecularWeight: 472.532403

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)N=C(C1=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F)N=C(C1=O)C

InChI

InChI=1S/C23H25FN4O4S/c1-3-28-21-10-5-17(15-20(21)25-16(2)22(28)29)23(30)26-11-4-12-27(14-13-26)33(31,32)19-8-6-18(24)7-9-19/h5-10,15H,3-4,11-14H2,1-2H3