N-(3-methylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide

Systemtic Name: N-(3-methylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanamide Openeye Name: N-(m-tolyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: N-(3-methylphenyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetamide IUPAC Name: N-(3-methylphenyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide Traditional Name: N-(m-tolyl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c1-14-5-4-6-15(11-14)20-19(23)13-28-18-8-7-16(12-17(18)22(24)25)29(26,27)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,20,23)