N,N'-bis[3-[(4-methylsulfonylphenyl)methylamino]propyl]heptane-1,7-diamine

Systemtic Name: N,N'-bis[3-[(4-methylsulfonylphenyl)methylamino]propyl]heptane-1,7-diamine Openeye Name: N,N'-bis[3-[(4-methylsulfonylphenyl)methylamino]propyl]heptane-1,7-diamine CAS Name: N,N'-bis[3-[(4-methylsulfonylphenyl)methylamino]propyl]heptane-1,7-diamine IUPAC Name: N,N'-bis[3-[(4-methylsulfonylphenyl)methylamino]propyl]heptane-1,7-diamine Traditional Name: (4-mesylbenzyl)-[3-[7-[3-[(4-mesylbenzyl)amino]propylamino]heptylamino]propyl]amine Formula: C29H48N4O4S2 MolecularWeight: 580.84582

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNCCCNCCCCCCCNCCCNCC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNCCCNCCCCCCCNCCCNCC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C29H48N4O4S2/c1-38(34,35)28-14-10-26(11-15-28)24-32-22-8-20-30-18-6-4-3-5-7-19-31-21-9-23-33-25-27-12-16-29(17-13-27)39(2,36)37/h10-17,30-33H,3-9,18-25H2,1-2H3