4-(1-ethylindol-5-yl)sulfonyl-N-(3-fluoranyl-4-methyl-phenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(1-ethylindol-5-yl)sulfonyl-N-(3-fluoranyl-4-methyl-phenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(1-ethylindol-5-yl)sulfonyl-N-(3-fluoro-4-methyl-phenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(1-ethyl-5-indolyl)sulfonyl]-N-(3-fluoro-4-methylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(1-ethylindol-5-yl)sulfonyl-N-(3-fluoro-4-methylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(1-ethylindol-5-yl)sulfonyl-N-(3-fluoro-4-methyl-phenyl)-1,4-diazepane-1-carboxamide Formula: C23H27FN4O3S MolecularWeight: 458.548883

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCN(CC3)C(=O)NC4=CC(=C(C=C4)C)F

Isomeric SMILES

CCN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCN(CC3)C(=O)NC4=CC(=C(C=C4)C)F

InChI

InChI=1S/C23H27FN4O3S/c1-3-26-12-9-18-15-20(7-8-22(18)26)32(30,31)28-11-4-10-27(13-14-28)23(29)25-19-6-5-17(2)21(24)16-19/h5-9,12,15-16H,3-4,10-11,13-14H2,1-2H3,(H,25,29)