N-(2,4-dimethylpentan-3-yl)-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-(2,4-dimethylpentan-3-yl)-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-(1-isopropyl-2-methyl-propyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(2,4-dimethylpentan-3-yl)acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(2,4-dimethylpentan-3-yl)acetamide Traditional Name: 2-(N-besyl-3-nitro-anilino)-N-(1-isopropyl-2-methyl-propyl)acetamide Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C)NC(=O)CN(C1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(C)C)NC(=O)CN(C1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H27N3O5S/c1-15(2)21(16(3)4)22-20(25)14-23(17-9-8-10-18(13-17)24(26)27)30(28,29)19-11-6-5-7-12-19/h5-13,15-16,21H,14H2,1-4H3,(H,22,25)