N-methyl-5-[2-(2-nitrophenyl)sulfonylphenoxy]pentan-1-amine hydrochloride

Systemtic Name: N-methyl-5-[2-(2-nitrophenyl)sulfonylphenoxy]pentan-1-amine hydrochloride Openeye Name: N-methyl-5-[2-(2-nitrophenyl)sulfonylphenoxy]pentan-1-amine hydrochloride CAS Name: N-methyl-5-[2-(2-nitrophenyl)sulfonylphenoxy]-1-pentanamine hydrochloride IUPAC Name: N-methyl-5-[2-(2-nitrophenyl)sulfonylphenoxy]pentan-1-amine hydrochloride Traditional Name: methyl-[5-[2-(2-nitrophenyl)sulfonylphenoxy]pentyl]amine hydrochloride Formula: C18H23ClN2O5S MolecularWeight: 414.90362

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCCCOC1=CC=CC=C1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-].Cl

Isomeric SMILES

CNCCCCCOC1=CC=CC=C1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-].Cl

InChI

InChI=1S/C18H22N2O5S.ClH/c1-19-13-7-2-8-14-25-16-10-4-6-12-18(16)26(23,24)17-11-5-3-9-15(17)20(21)22;/h3-6,9-12,19H,2,7-8,13-14H2,1H3;1H