N-[(2S)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-methyl-benzamide

Systemtic Name: N-[(2S)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-methyl-benzamide Openeye Name: N-[(1S)-1-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-propyl]-2-methyl-benzamide CAS Name: N-[(2S)-1-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide IUPAC Name: N-[(2S)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide Traditional Name: N-[(1S)-1-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-propyl]-2-methyl-benzamide Formula: C23H28FN3O4S MolecularWeight: 461.549523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C23H28FN3O4S/c1-16(2)21(25-22(28)20-10-5-4-7-17(20)3)23(29)26-11-13-27(14-12-26)32(30,31)19-9-6-8-18(24)15-19/h4-10,15-16,21H,11-14H2,1-3H3,(H,25,28)/t21-/m0/s1