N-[(2S)-1-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[(2S)-1-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[(1S)-1-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]-2-methyl-propyl]-2-fluoro-benzamide CAS Name: N-[(2S)-1-[3-(1-azepanylsulfonyl)-4-methylanilino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide IUPAC Name: N-[(2S)-1-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide Traditional Name: N-[(1S)-1-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]-2-methyl-propyl]-2-fluoro-benzamide Formula: C25H32FN3O4S MolecularWeight: 489.602683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H32FN3O4S/c1-17(2)23(28-24(30)20-10-6-7-11-21(20)26)25(31)27-19-13-12-18(3)22(16-19)34(32,33)29-14-8-4-5-9-15-29/h6-7,10-13,16-17,23H,4-5,8-9,14-15H2,1-3H3,(H,27,31)(H,28,30)/t23-/m0/s1