(2S)-N-(4-ethylsulfonylphenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

Systemtic Name: (2S)-N-(4-ethylsulfonylphenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide Openeye Name: (2S)-N-(4-ethylsulfonylphenyl)-4-methyl-2-(p-tolylsulfonylamino)pentanamide CAS Name: (2S)-N-(4-ethylsulfonylphenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide IUPAC Name: (2S)-N-(4-ethylsulfonylphenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide Traditional Name: (2S)-N-(4-esylphenyl)-4-methyl-2-(tosylamino)valeramide Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(CC(C)C)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)[C@H](CC(C)C)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H28N2O5S2/c1-5-29(25,26)18-12-8-17(9-13-18)22-21(24)20(14-15(2)3)23-30(27,28)19-10-6-16(4)7-11-19/h6-13,15,20,23H,5,14H2,1-4H3,(H,22,24)/t20-/m0/s1