N-methyl-N'-[1-[4-(3-phenylpropylsulfonyl)phenyl]ethyl]propane-1,3-diamine

Systemtic Name: N-methyl-N'-[1-[4-(3-phenylpropylsulfonyl)phenyl]ethyl]propane-1,3-diamine Openeye Name: N-methyl-N'-[1-[4-(3-phenylpropylsulfonyl)phenyl]ethyl]propane-1,3-diamine CAS Name: N-methyl-N'-[1-[4-(3-phenylpropylsulfonyl)phenyl]ethyl]propane-1,3-diamine IUPAC Name: N-methyl-N'-[1-[4-(3-phenylpropylsulfonyl)phenyl]ethyl]propane-1,3-diamine Traditional Name: methyl-[3-[1-[4-(3-phenylpropylsulfonyl)phenyl]ethylamino]propyl]amine Formula: C21H30N2O2S MolecularWeight: 374.5401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)CCCC2=CC=CC=C2)NCCCNC

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)CCCC2=CC=CC=C2)NCCCNC

InChI

InChI=1S/C21H30N2O2S/c1-18(23-16-7-15-22-2)20-11-13-21(14-12-20)26(24,25)17-6-10-19-8-4-3-5-9-19/h3-5,8-9,11-14,18,22-23H,6-7,10,15-17H2,1-2H3