N-[(2S)-1-(4-ethanoylpiperazin-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2S)-1-(4-ethanoylpiperazin-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S)-1-(4-acetylpiperazine-1-carbonyl)-3-methylsulfanyl-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S)-1-(4-acetyl-1-piperazinyl)-4-(methylthio)-1-oxobutan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S)-1-(4-acetylpiperazin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S)-1-(4-acetylpiperazine-1-carbonyl)-3-(methylthio)propyl]-4-methyl-benzenesulfonamide Formula: C18H27N3O4S2 MolecularWeight: 413.55468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4S2/c1-14-4-6-16(7-5-14)27(24,25)19-17(8-13-26-3)18(23)21-11-9-20(10-12-21)15(2)22/h4-7,17,19H,8-13H2,1-3H3/t17-/m0/s1