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

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-prop-2-enylacetamide IUPAC Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-prop-2-enylacetamide Traditional Name: N-allyl-2-(N-mesyl-2-methyl-5-nitro-anilino)acetamide Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5S/c1-4-7-14-13(17)9-15(22(3,20)21)12-8-11(16(18)19)6-5-10(12)2/h4-6,8H,1,7,9H2,2-3H3,(H,14,17)