2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-[(3-propan-2-yloxyphenyl)methyl]ethanamide

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-[(3-propan-2-yloxyphenyl)methyl]ethanamide Openeye Name: N-[(3-isopropoxyphenyl)methyl]-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide IUPAC Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide Traditional Name: N-(3-isopropoxybenzyl)-2-(N-mesyl-2-methyl-5-nitro-anilino)acetamide Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC(=CC=C2)OC(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC(=CC=C2)OC(C)C)S(=O)(=O)C

InChI

InChI=1S/C20H25N3O6S/c1-14(2)29-18-7-5-6-16(10-18)12-21-20(24)13-22(30(4,27)28)19-11-17(23(25)26)9-8-15(19)3/h5-11,14H,12-13H2,1-4H3,(H,21,24)