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

Systemtic Name: N-[(2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide Openeye Name: N-[(1S)-1-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-3-methylsulfanyl-propyl]-3-methyl-benzamide CAS Name: N-[(2S)-1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]-3-methylbenzamide IUPAC Name: N-[(2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide Traditional Name: N-[(1S)-1-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-3-(methylthio)propyl]-3-methyl-benzamide Formula: C23H28FN3O4S2 MolecularWeight: 493.614523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](CCSC)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FN3O4S2/c1-17-4-3-5-18(16-17)22(28)25-21(10-15-32-2)23(29)26-11-13-27(14-12-26)33(30,31)20-8-6-19(24)7-9-20/h3-9,16,21H,10-15H2,1-2H3,(H,25,28)/t21-/m0/s1