N-ethyl-3-[(2-methyl-3-nitro-phenyl)methylsulfonyl]propanamide

Systemtic Name: N-ethyl-3-[(2-methyl-3-nitro-phenyl)methylsulfonyl]propanamide Openeye Name: N-ethyl-3-[(2-methyl-3-nitro-phenyl)methylsulfonyl]propanamide CAS Name: N-ethyl-3-[(2-methyl-3-nitrophenyl)methylsulfonyl]propanamide IUPAC Name: N-ethyl-3-[(2-methyl-3-nitrophenyl)methylsulfonyl]propanamide Traditional Name: N-ethyl-3-(2-methyl-3-nitro-benzyl)sulfonyl-propionamide Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CCS(=O)(=O)CC1=C(C(=CC=C1)[N+](=O)[O-])C

Isomeric SMILES

CCNC(=O)CCS(=O)(=O)CC1=C(C(=CC=C1)[N+](=O)[O-])C

InChI

InChI=1S/C13H18N2O5S/c1-3-14-13(16)7-8-21(19,20)9-11-5-4-6-12(10(11)2)15(17)18/h4-6H,3,7-9H2,1-2H3,(H,14,16)