N-methyl-5-[2-(4-nitrophenyl)sulfonylphenoxy]pentan-1-amine hydrochloride

Systemtic Name: N-methyl-5-[2-(4-nitrophenyl)sulfonylphenoxy]pentan-1-amine hydrochloride Openeye Name: N-methyl-5-[2-(4-nitrophenyl)sulfonylphenoxy]pentan-1-amine hydrochloride CAS Name: N-methyl-5-[2-(4-nitrophenyl)sulfonylphenoxy]-1-pentanamine hydrochloride IUPAC Name: N-methyl-5-[2-(4-nitrophenyl)sulfonylphenoxy]pentan-1-amine hydrochloride Traditional Name: methyl-[5-(2-nosylphenoxy)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=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

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

InChI

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