4-[4-[1-azanyl-2-(tert-butyldisulfanyl)ethyl]-2-methoxy-5-nitro-phenoxy]-N-methyl-butanamide

Systemtic Name: 4-[4-[1-azanyl-2-(tert-butyldisulfanyl)ethyl]-2-methoxy-5-nitro-phenoxy]-N-methyl-butanamide Openeye Name: 4-[4-[1-amino-2-(tert-butyldisulfanyl)ethyl]-2-methoxy-5-nitro-phenoxy]-N-methyl-butanamide CAS Name: 4-[4-[1-amino-2-(tert-butyldisulfanyl)ethyl]-2-methoxy-5-nitrophenoxy]-N-methylbutanamide IUPAC Name: 4-[4-[1-amino-2-(tert-butyldisulfanyl)ethyl]-2-methoxy-5-nitrophenoxy]-N-methylbutanamide Traditional Name: 4-[4-[1-amino-2-(tert-butyldisulfanyl)ethyl]-2-methoxy-5-nitro-phenoxy]-N-methyl-butyramide Formula: C18H29N3O5S2 MolecularWeight: 431.56996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SSCC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)NC)OC)N

Isomeric SMILES

CC(C)(C)SSCC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)NC)OC)N

InChI

InChI=1S/C18H29N3O5S2/c1-18(2,3)28-27-11-13(19)12-9-15(25-5)16(10-14(12)21(23)24)26-8-6-7-17(22)20-4/h9-10,13H,6-8,11,19H2,1-5H3,(H,20,22)