(2S)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methylsulfanyl-2-(phenylsulfonylamino)butanamide

Systemtic Name: (2S)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methylsulfanyl-2-(phenylsulfonylamino)butanamide Openeye Name: (2S)-2-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methylsulfanyl-butanamide CAS Name: (2S)-2-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(methylthio)butanamide IUPAC Name: (2S)-2-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methylsulfanylbutanamide Traditional Name: (2S)-2-(benzenesulfonamido)-N-[4-(diethylaminomethyl)benzyl]-4-(methylthio)butyramide Formula: C23H33N3O3S2 MolecularWeight: 463.65642

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C(CCSC)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)CNC(=O)[C@H](CCSC)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H33N3O3S2/c1-4-26(5-2)18-20-13-11-19(12-14-20)17-24-23(27)22(15-16-30-3)25-31(28,29)21-9-7-6-8-10-21/h6-14,22,25H,4-5,15-18H2,1-3H3,(H,24,27)/t22-/m0/s1