[7-methylidene-5,9-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]-phenyl-methanone

Systemtic Name: [7-methylidene-5,9-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]-phenyl-methanone Openeye Name: [7-methylene-5,9-bis(p-tolylsulfonyl)-1,5,9-triazacyclododec-1-yl]-phenyl-methanone CAS Name: [7-methylene-5,9-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]-phenylmethanone IUPAC Name: [7-methylidene-5,9-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]-phenylmethanone Traditional Name: (7-methylene-5,9-ditosyl-1,5,9-triazacyclododec-1-yl)-phenyl-methanone Formula: C31H37N3O5S2 MolecularWeight: 595.77258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCCN(CC(=C)C2)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCCN(CC(=C)C2)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H37N3O5S2/c1-25-11-15-29(16-12-25)40(36,37)33-21-7-19-32(31(35)28-9-5-4-6-10-28)20-8-22-34(24-27(3)23-33)41(38,39)30-17-13-26(2)14-18-30/h4-6,9-18H,3,7-8,19-24H2,1-2H3