N-[1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]ethanamide

Systemtic Name: N-[1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]ethanamide Openeye Name: N-[1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-2-methyl-propyl]acetamide CAS Name: N-[1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide IUPAC Name: N-[1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide Traditional Name: N-[1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-2-methyl-propyl]acetamide Formula: C18H26FN3O4S MolecularWeight: 399.480143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F)NC(=O)C

InChI

InChI=1S/C18H26FN3O4S/c1-13(2)17(20-14(3)23)18(24)21-9-4-10-22(12-11-21)27(25,26)16-7-5-15(19)6-8-16/h5-8,13,17H,4,9-12H2,1-3H3,(H,20,23)