4-(1-ethylindol-5-yl)sulfonyl-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(1-ethylindol-5-yl)sulfonyl-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(1-ethylindol-5-yl)sulfonyl-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(1-ethyl-5-indolyl)sulfonyl]-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(1-ethylindol-5-yl)sulfonyl-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(1-ethylindol-5-yl)sulfonyl-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide Formula: C22H25FN4O3S MolecularWeight: 444.522303

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCN(CC3)C(=O)NC4=CC=CC=C4F

Isomeric SMILES

CCN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCCN(CC3)C(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C22H25FN4O3S/c1-2-25-13-10-17-16-18(8-9-21(17)25)31(29,30)27-12-5-11-26(14-15-27)22(28)24-20-7-4-3-6-19(20)23/h3-4,6-10,13,16H,2,5,11-12,14-15H2,1H3,(H,24,28)