3-[4-[4-(1,3,5,9,13-pentazacyclohexadec-3-yl)phenyl]sulfonylphenyl]-1,3,5,9,13-pentazacyclohexadecane

Systemtic Name: 3-[4-[4-(1,3,5,9,13-pentazacyclohexadec-3-yl)phenyl]sulfonylphenyl]-1,3,5,9,13-pentazacyclohexadecane Openeye Name: 3-[4-[4-(1,3,5,9,13-pentazacyclohexadec-3-yl)phenyl]sulfonylphenyl]-1,3,5,9,13-pentazacyclohexadecane CAS Name: 3-[4-[4-(1,3,5,9,13-pentazacyclohexadec-3-yl)phenyl]sulfonylphenyl]-1,3,5,9,13-pentazacyclohexadecane IUPAC Name: 3-[4-[4-(1,3,5,9,13-pentazacyclohexadec-3-yl)phenyl]sulfonylphenyl]-1,3,5,9,13-pentazacyclohexadecane Traditional Name: 3-[4-[4-(1,3,5,9,13-pentazacyclohexadec-3-yl)phenyl]sulfonylphenyl]-1,3,5,9,13-pentazacyclohexadecane Formula: C34H60N10O2S MolecularWeight: 672.971

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCCNCN(CNCCCNC1)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N4CNCCCNCCCNCCCNC4

Isomeric SMILES

C1CNCCCNCN(CNCCCNC1)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N4CNCCCNCCCNCCCNC4

InChI

InChI=1S/C34H60N10O2S/c45-47(46,33-11-7-31(8-12-33)43-27-39-23-3-19-35-15-1-16-36-20-4-24-40-28-43)34-13-9-32(10-14-34)44-29-41-25-5-21-37-17-2-18-38-22-6-26-42-30-44/h7-14,35-42H,1-6,15-30H2