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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1CCCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=CC=C1CCCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

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