[1,5,9-tris-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-3-yl]methanol

Systemtic Name: [1,5,9-tris-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-3-yl]methanol Openeye Name: [1,5,9-tris(p-tolylsulfonyl)-1,5,9-triazacyclododec-3-yl]methanol CAS Name: [1,5,9-tris-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-3-yl]methanol IUPAC Name: [1,5,9-tris-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-3-yl]methanol Traditional Name: (1,5,9-tritosyl-1,5,9-triazacyclododec-3-yl)methanol Formula: C31H41N3O7S3 MolecularWeight: 663.86814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC(CN(CCC2)S(=O)(=O)C3=CC=C(C=C3)C)CO)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC(CN(CCC2)S(=O)(=O)C3=CC=C(C=C3)C)CO)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C31H41N3O7S3/c1-25-6-12-29(13-7-25)42(36,37)32-18-4-20-33(43(38,39)30-14-8-26(2)9-15-30)22-28(24-35)23-34(21-5-19-32)44(40,41)31-16-10-27(3)11-17-31/h6-17,28,35H,4-5,18-24H2,1-3H3