1-[1-(2-fluorophenyl)sulfonyl-3-oxidanylidene-azepan-4-yl]-3-(3-methylbutyl)urea

Systemtic Name: 1-[1-(2-fluorophenyl)sulfonyl-3-oxidanylidene-azepan-4-yl]-3-(3-methylbutyl)urea Openeye Name: 1-[1-(2-fluorophenyl)sulfonyl-3-oxo-azepan-4-yl]-3-isopentyl-urea CAS Name: 1-[1-(2-fluorophenyl)sulfonyl-3-oxo-4-azepanyl]-3-(3-methylbutyl)urea IUPAC Name: 1-[1-(2-fluorophenyl)sulfonyl-3-oxoazepan-4-yl]-3-(3-methylbutyl)urea Traditional Name: 1-[1-(2-fluorophenyl)sulfonyl-3-keto-azepan-4-yl]-3-isoamyl-urea Formula: C18H26FN3O4S MolecularWeight: 399.480143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)CCNC(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=C2F

InChI

InChI=1S/C18H26FN3O4S/c1-13(2)9-10-20-18(24)21-15-7-5-11-22(12-16(15)23)27(25,26)17-8-4-3-6-14(17)19/h3-4,6,8,13,15H,5,7,9-12H2,1-2H3,(H2,20,21,24)