N'-[2-[4-methoxy-3-(methylsulfonylmethyl)phenyl]ethyl]-N'-phenethyl-hexane-1,6-diamine

Systemtic Name: N'-[2-[4-methoxy-3-(methylsulfonylmethyl)phenyl]ethyl]-N'-phenethyl-hexane-1,6-diamine Openeye Name: N'-[2-[4-methoxy-3-(methylsulfonylmethyl)phenyl]ethyl]-N'-phenethyl-hexane-1,6-diamine CAS Name: N'-[2-[4-methoxy-3-(methylsulfonylmethyl)phenyl]ethyl]-N'-phenethylhexane-1,6-diamine IUPAC Name: N'-[2-[4-methoxy-3-(methylsulfonylmethyl)phenyl]ethyl]-N'-phenethylhexane-1,6-diamine Traditional Name: 6-aminohexyl-[2-[3-(mesylmethyl)-4-methoxy-phenyl]ethyl]-phenethyl-amine Formula: C25H38N2O3S MolecularWeight: 446.64582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CCCCCCN)CCC2=CC=CC=C2)CS(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CCCCCCN)CCC2=CC=CC=C2)CS(=O)(=O)C

InChI

InChI=1S/C25H38N2O3S/c1-30-25-13-12-23(20-24(25)21-31(2,28)29)15-19-27(17-9-4-3-8-16-26)18-14-22-10-6-5-7-11-22/h5-7,10-13,20H,3-4,8-9,14-19,21,26H2,1-2H3