2,5-dimethyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]butan-2-yl]benzenesulfonamide

Systemtic Name: 2,5-dimethyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]butan-2-yl]benzenesulfonamide Openeye Name: N-[(1S)-1-(4-benzylpiperazine-1-carbonyl)-3-methylsulfanyl-propyl]-2,5-dimethyl-benzenesulfonamide CAS Name: 2,5-dimethyl-N-[(2S)-4-(methylthio)-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]butan-2-yl]benzenesulfonamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-2,5-dimethylbenzenesulfonamide Traditional Name: N-[(1S)-1-(4-benzylpiperazine-1-carbonyl)-3-(methylthio)propyl]-2,5-dimethyl-benzenesulfonamide Formula: C24H33N3O3S2 MolecularWeight: 475.66712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC(CCSC)C(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N[C@@H](CCSC)C(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H33N3O3S2/c1-19-9-10-20(2)23(17-19)32(29,30)25-22(11-16-31-3)24(28)27-14-12-26(13-15-27)18-21-7-5-4-6-8-21/h4-10,17,22,25H,11-16,18H2,1-3H3/t22-/m0/s1