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

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-[3-(3-propan-2-yloxyphenyl)propyl]ethanamide Openeye Name: N-[3-(3-isopropoxyphenyl)propyl]-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide IUPAC Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide Traditional Name: N-[3-(3-isopropoxyphenyl)propyl]-2-(N-mesyl-2-methyl-5-nitro-anilino)acetamide Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCC2=CC(=CC=C2)OC(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCC2=CC(=CC=C2)OC(C)C)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O6S/c1-16(2)31-20-9-5-7-18(13-20)8-6-12-23-22(26)15-24(32(4,29)30)21-14-19(25(27)28)11-10-17(21)3/h5,7,9-11,13-14,16H,6,8,12,15H2,1-4H3,(H,23,26)