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

Systemtic Name: N-methyl-4-[2-(2-nitrophenyl)sulfonylphenoxy]pentan-1-amine hydrochloride Openeye Name: N-methyl-4-[2-(2-nitrophenyl)sulfonylphenoxy]pentan-1-amine hydrochloride CAS Name: N-methyl-4-[2-(2-nitrophenyl)sulfonylphenoxy]-1-pentanamine hydrochloride IUPAC Name: N-methyl-4-[2-(2-nitrophenyl)sulfonylphenoxy]pentan-1-amine hydrochloride Traditional Name: methyl-[4-[2-(2-nitrophenyl)sulfonylphenoxy]pentyl]amine hydrochloride Formula: C18H23ClN2O5S MolecularWeight: 414.90362

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCNC)OC1=CC=CC=C1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-].Cl

Isomeric SMILES

CC(CCCNC)OC1=CC=CC=C1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-].Cl

InChI

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