2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-[3-(2-propoxyphenyl)propyl]ethanamide

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-[3-(2-propoxyphenyl)propyl]ethanamide Openeye Name: 2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)-N-[3-(2-propoxyphenyl)propyl]acetamide CAS Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[3-(2-propoxyphenyl)propyl]acetamide IUPAC Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[3-(2-propoxyphenyl)propyl]acetamide Traditional Name: 2-(N-mesyl-2-methoxy-5-nitro-anilino)-N-[3-(2-propoxyphenyl)propyl]acetamide Formula: C22H29N3O7S MolecularWeight: 479.54656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O7S/c1-4-14-32-20-10-6-5-8-17(20)9-7-13-23-22(26)16-24(33(3,29)30)19-15-18(25(27)28)11-12-21(19)31-2/h5-6,8,10-12,15H,4,7,9,13-14,16H2,1-3H3,(H,23,26)