[2-[4-(4-methoxyphenyl)butan-2-ylamino]-1-(3-methylsulfinyl-4-oxidanyl-phenyl)ethyl] nitrate

Systemtic Name: [2-[4-(4-methoxyphenyl)butan-2-ylamino]-1-(3-methylsulfinyl-4-oxidanyl-phenyl)ethyl] nitrate Openeye Name: [1-(4-hydroxy-3-methylsulfinyl-phenyl)-2-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]ethyl] nitrate CAS Name: nitric acid [1-(4-hydroxy-3-methylsulfinylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl] ester IUPAC Name: [1-(4-hydroxy-3-methylsulfinylphenyl)-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl] nitrate Traditional Name: nitric acid [1-(4-hydroxy-3-methylsulfinyl-phenyl)-2-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]ethyl] ester Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)S(=O)C)O[N+](=O)[O-]

Isomeric SMILES

CC(CCC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)S(=O)C)O[N+](=O)[O-]

InChI

InChI=1S/C20H26N2O6S/c1-14(4-5-15-6-9-17(27-2)10-7-15)21-13-19(28-22(24)25)16-8-11-18(23)20(12-16)29(3)26/h6-12,14,19,21,23H,4-5,13H2,1-3H3