N,N'-bis[3-[(4-methylsulfonylphenyl)methylamino]propyl]octane-1,8-diamine

Systemtic Name: N,N'-bis[3-[(4-methylsulfonylphenyl)methylamino]propyl]octane-1,8-diamine Openeye Name: N,N'-bis[3-[(4-methylsulfonylphenyl)methylamino]propyl]octane-1,8-diamine CAS Name: N,N'-bis[3-[(4-methylsulfonylphenyl)methylamino]propyl]octane-1,8-diamine IUPAC Name: N,N'-bis[3-[(4-methylsulfonylphenyl)methylamino]propyl]octane-1,8-diamine Traditional Name: (4-mesylbenzyl)-[3-[8-[3-[(4-mesylbenzyl)amino]propylamino]octylamino]propyl]amine Formula: C30H50N4O4S2 MolecularWeight: 594.8724

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNCCCNCCCCCCCCNCCCNCC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNCCCNCCCCCCCCNCCCNCC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C30H50N4O4S2/c1-39(35,36)29-15-11-27(12-16-29)25-33-23-9-21-31-19-7-5-3-4-6-8-20-32-22-10-24-34-26-28-13-17-30(18-14-28)40(2,37)38/h11-18,31-34H,3-10,19-26H2,1-2H3