(2S)-2-ethyl-3-(4-methylphenyl)sulfonyl-N-(phenylmethyl)hexanamide

Systemtic Name: (2S)-2-ethyl-3-(4-methylphenyl)sulfonyl-N-(phenylmethyl)hexanamide Openeye Name: (2S)-N-benzyl-2-ethyl-3-(p-tolylsulfonyl)hexanamide CAS Name: (2S)-2-ethyl-3-(4-methylphenyl)sulfonyl-N-(phenylmethyl)hexanamide IUPAC Name: (2S)-N-benzyl-2-ethyl-3-(4-methylphenyl)sulfonylhexanamide Traditional Name: (2S)-N-benzyl-2-ethyl-3-tosyl-hexanamide Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)C(=O)NCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC([C@@H](CC)C(=O)NCC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H29NO3S/c1-4-9-21(27(25,26)19-14-12-17(3)13-15-19)20(5-2)22(24)23-16-18-10-7-6-8-11-18/h6-8,10-15,20-21H,4-5,9,16H2,1-3H3,(H,23,24)/t20-,21?/m1/s1