N-[3,7-dimethylidene-1-[(4-methylphenyl)sulfonylamino]-1,2-diazocan-5-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3,7-dimethylidene-1-[(4-methylphenyl)sulfonylamino]-1,2-diazocan-5-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[3,7-dimethylene-1-(p-tolylsulfonylamino)diazocan-5-yl]-4-methyl-benzenesulfonamide CAS Name: N-[3,7-dimethylene-1-[(4-methylphenyl)sulfonylamino]-5-diazocanyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3,7-dimethylidene-1-[(4-methylphenyl)sulfonylamino]diazocan-5-yl]-4-methylbenzenesulfonamide Traditional Name: N-[3,7-dimethylene-1-(tosylamino)diazocan-5-yl]-4-methyl-benzenesulfonamide Formula: C22H28N4O4S2 MolecularWeight: 476.61212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CC(=C)CN(NC(=C)C2)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2CC(=C)CN(NC(=C)C2)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H28N4O4S2/c1-16-5-9-21(10-6-16)31(27,28)24-20-13-18(3)15-26(23-19(4)14-20)25-32(29,30)22-11-7-17(2)8-12-22/h5-12,20,23-25H,3-4,13-15H2,1-2H3