(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[(2S)-pentan-2-yl]-3-phenyl-propanamide

Systemtic Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-N-[(2S)-pentan-2-yl]-3-phenyl-propanamide Openeye Name: (2S)-N-[(1S)-1-methylbutyl]-3-phenyl-2-(p-tolylsulfonylamino)propanamide CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-N-[(2S)-pentan-2-yl]-3-phenylpropanamide IUPAC Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-N-[(2S)-pentan-2-yl]-3-phenylpropanamide Traditional Name: (2S)-N-[(1S)-1-methylbutyl]-3-phenyl-2-(tosylamino)propionamide Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC[C@H](C)NC(=O)[C@H](CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H28N2O3S/c1-4-8-17(3)22-21(24)20(15-18-9-6-5-7-10-18)23-27(25,26)19-13-11-16(2)12-14-19/h5-7,9-14,17,20,23H,4,8,15H2,1-3H3,(H,22,24)/t17-,20-/m0/s1