2-[methylsulfonyl-(3-nitrophenyl)amino]-N-[3-(3-propan-2-yloxyphenyl)propyl]ethanamide

Systemtic Name: 2-[methylsulfonyl-(3-nitrophenyl)amino]-N-[3-(3-propan-2-yloxyphenyl)propyl]ethanamide Openeye Name: N-[3-(3-isopropoxyphenyl)propyl]-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide IUPAC Name: 2-(N-methylsulfonyl-3-nitroanilino)-N-[3-(3-propan-2-yloxyphenyl)propyl]acetamide Traditional Name: N-[3-(3-isopropoxyphenyl)propyl]-2-(N-mesyl-3-nitro-anilino)acetamide Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)CCCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)CCCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C21H27N3O6S/c1-16(2)30-20-11-4-7-17(13-20)8-6-12-22-21(25)15-23(31(3,28)29)18-9-5-10-19(14-18)24(26)27/h4-5,7,9-11,13-14,16H,6,8,12,15H2,1-3H3,(H,22,25)