N-[[2-(2-methylsulfonylphenyl)phenyl]-phenyl-methyl]heptan-3-amine

Systemtic Name: N-[[2-(2-methylsulfonylphenyl)phenyl]-phenyl-methyl]heptan-3-amine Openeye Name: N-[[2-(2-methylsulfonylphenyl)phenyl]-phenyl-methyl]heptan-3-amine CAS Name: N-[[2-(2-methylsulfonylphenyl)phenyl]-phenylmethyl]-3-heptanamine IUPAC Name: N-[[2-(2-methylsulfonylphenyl)phenyl]-phenylmethyl]heptan-3-amine Traditional Name: 1-ethylpentyl-[[2-(2-mesylphenyl)phenyl]-phenyl-methyl]amine Formula: C27H33NO2S MolecularWeight: 435.62142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)NC(C1=CC=CC=C1)C2=CC=CC=C2C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CCCCC(CC)NC(C1=CC=CC=C1)C2=CC=CC=C2C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C27H33NO2S/c1-4-6-16-22(5-2)28-27(21-14-8-7-9-15-21)25-19-11-10-17-23(25)24-18-12-13-20-26(24)31(3,29)30/h7-15,17-20,22,27-28H,4-6,16H2,1-3H3