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

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-[3-(3-methylphenyl)propyl]ethanamide Openeye Name: 2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)-N-[3-(m-tolyl)propyl]acetamide CAS Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[3-(3-methylphenyl)propyl]acetamide IUPAC Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[3-(3-methylphenyl)propyl]acetamide Traditional Name: 2-(N-mesyl-2-methoxy-5-nitro-anilino)-N-[3-(m-tolyl)propyl]acetamide Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O6S/c1-15-6-4-7-16(12-15)8-5-11-21-20(24)14-22(30(3,27)28)18-13-17(23(25)26)9-10-19(18)29-2/h4,6-7,9-10,12-13H,5,8,11,14H2,1-3H3,(H,21,24)