(2S)-N-[(4-methylphenyl)methyl]-2-(4-nitrophenyl)sulfonyl-propanamide

Systemtic Name: (2S)-N-[(4-methylphenyl)methyl]-2-(4-nitrophenyl)sulfonyl-propanamide Openeye Name: (2S)-2-(4-nitrophenyl)sulfonyl-N-(p-tolylmethyl)propanamide CAS Name: (2S)-N-[(4-methylphenyl)methyl]-2-(4-nitrophenyl)sulfonylpropanamide IUPAC Name: (2S)-N-[(4-methylphenyl)methyl]-2-(4-nitrophenyl)sulfonylpropanamide Traditional Name: (2S)-N-(4-methylbenzyl)-2-nosyl-propionamide Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O5S/c1-12-3-5-14(6-4-12)11-18-17(20)13(2)25(23,24)16-9-7-15(8-10-16)19(21)22/h3-10,13H,11H2,1-2H3,(H,18,20)/t13-/m0/s1