2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-propyl-ethanamide

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-propyl-ethanamide Openeye Name: 2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)-N-propyl-acetamide CAS Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-propylacetamide IUPAC Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-propylacetamide Traditional Name: 2-(N-mesyl-2-methyl-5-nitro-anilino)-N-propyl-acetamide Formula: C13H19N3O5S MolecularWeight: 329.37206

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C1=C(C=CC(=C1)[N+](=O)[O-])C)S(=O)(=O)C

Isomeric SMILES

CCCNC(=O)CN(C1=C(C=CC(=C1)[N+](=O)[O-])C)S(=O)(=O)C

InChI

InChI=1S/C13H19N3O5S/c1-4-7-14-13(17)9-15(22(3,20)21)12-8-11(16(18)19)6-5-10(12)2/h5-6,8H,4,7,9H2,1-3H3,(H,14,17)