2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-(3-propan-2-yloxypropyl)ethanamide

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-(3-propan-2-yloxypropyl)ethanamide Openeye Name: N-(3-isopropoxypropyl)-2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(3-propan-2-yloxypropyl)acetamide IUPAC Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(3-propan-2-yloxypropyl)acetamide Traditional Name: N-(3-isopropoxypropyl)-2-(N-mesyl-2-methoxy-5-nitro-anilino)acetamide Formula: C16H25N3O7S MolecularWeight: 403.4506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)CN(C1=C(C=CC(=C1)[N+](=O)[O-])OC)S(=O)(=O)C

Isomeric SMILES

CC(C)OCCCNC(=O)CN(C1=C(C=CC(=C1)[N+](=O)[O-])OC)S(=O)(=O)C

InChI

InChI=1S/C16H25N3O7S/c1-12(2)26-9-5-8-17-16(20)11-18(27(4,23)24)14-10-13(19(21)22)6-7-15(14)25-3/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,17,20)