phenyl-[1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7,11-tetrazacyclotetradec-11-yl]methanone

Systemtic Name: phenyl-[1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7,11-tetrazacyclotetradec-11-yl]methanone Openeye Name: phenyl-[1,4,7-tris(p-tolylsulfonyl)-1,4,7,11-tetrazacyclotetradec-11-yl]methanone CAS Name: phenyl-[1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7,11-tetrazacyclotetradec-11-yl]methanone IUPAC Name: phenyl-[1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7,11-tetrazacyclotetradec-11-yl]methanone Traditional Name: phenyl-(1,4,7-tritosyl-1,4,7,11-tetrazacyclotetradec-11-yl)methanone Formula: C38H46N4O7S3 MolecularWeight: 766.98944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCCN(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCCN(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C38H46N4O7S3/c1-31-11-17-35(18-12-31)50(44,45)40-25-7-23-39(38(43)34-9-5-4-6-10-34)24-8-26-41(51(46,47)36-19-13-32(2)14-20-36)28-30-42(29-27-40)52(48,49)37-21-15-33(3)16-22-37/h4-6,9-22H,7-8,23-30H2,1-3H3