1,7-bis-(4-methylphenyl)sulfonyl-4-(phenylmethyl)-1,4,7,10-tetrazacyclotetradecane

Systemtic Name: 1,7-bis-(4-methylphenyl)sulfonyl-4-(phenylmethyl)-1,4,7,10-tetrazacyclotetradecane Openeye Name: 4-benzyl-1,7-bis(p-tolylsulfonyl)-1,4,7,10-tetrazacyclotetradecane CAS Name: 1,7-bis-(4-methylphenyl)sulfonyl-4-(phenylmethyl)-1,4,7,10-tetrazacyclotetradecane IUPAC Name: 4-benzyl-1,7-bis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclotetradecane Traditional Name: 4-benzyl-1,7-ditosyl-1,4,7,10-tetrazacyclotetradecane Formula: C31H42N4O4S2 MolecularWeight: 598.81958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCNCCN(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)N2CCCCNCCN(CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C31H42N4O4S2/c1-27-10-14-30(15-11-27)40(36,37)34-20-7-6-18-32-19-21-35(41(38,39)31-16-12-28(2)13-17-31)25-23-33(22-24-34)26-29-8-4-3-5-9-29/h3-5,8-17,32H,6-7,18-26H2,1-2H3