1,7-bis-(4-methylphenyl)sulfonyl-4-(phenylmethyl)-1,4,7-triazecane

Systemtic Name: 1,7-bis-(4-methylphenyl)sulfonyl-4-(phenylmethyl)-1,4,7-triazecane Openeye Name: 4-benzyl-1,7-bis(p-tolylsulfonyl)-1,4,7-triazecane CAS Name: 1,7-bis-(4-methylphenyl)sulfonyl-4-(phenylmethyl)-1,4,7-triazecane IUPAC Name: 4-benzyl-1,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazecane Traditional Name: 4-benzyl-1,7-ditosyl-1,4,7-triazecane Formula: C28H35N3O4S2 MolecularWeight: 541.7252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H35N3O4S2/c1-24-9-13-27(14-10-24)36(32,33)30-17-6-18-31(37(34,35)28-15-11-25(2)12-16-28)22-20-29(19-21-30)23-26-7-4-3-5-8-26/h3-5,7-16H,6,17-23H2,1-2H3