2-bromanyl-1-[4,8,11-tris-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradec-1-yl]ethanone

Systemtic Name: 2-bromanyl-1-[4,8,11-tris-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradec-1-yl]ethanone Openeye Name: 2-bromo-1-[4,8,11-tris(p-tolylsulfonyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanone CAS Name: 2-bromo-1-[4,8,11-tris-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradec-1-yl]ethanone IUPAC Name: 2-bromo-1-[4,8,11-tris-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradec-1-yl]ethanone Traditional Name: 2-bromo-1-(4,8,11-tritosyl-1,4,8,11-tetrazacyclotetradec-1-yl)ethanone Formula: C33H43BrN4O7S3 MolecularWeight: 783.81612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H43BrN4O7S3/c1-27-6-12-30(13-7-27)46(40,41)36-20-5-21-38(48(44,45)32-16-10-29(3)11-17-32)25-24-37(19-4-18-35(22-23-36)33(39)26-34)47(42,43)31-14-8-28(2)9-15-31/h6-17H,4-5,18-26H2,1-3H3