N-[2-[1,3-bis[(4-dimethylaminophenyl)methyl]-1,3-diazinan-2-yl]phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-[1,3-bis[(4-dimethylaminophenyl)methyl]-1,3-diazinan-2-yl]phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[1,3-bis[(4-dimethylaminophenyl)methyl]hexahydropyrimidin-2-yl]phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[1,3-bis[(4-dimethylaminophenyl)methyl]-1,3-diazinan-2-yl]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[1,3-bis[(4-dimethylaminophenyl)methyl]-1,3-diazinan-2-yl]phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[1,3-bis[4-(dimethylamino)benzyl]hexahydropyrimidin-2-yl]phenyl]-4-methyl-benzenesulfonamide Formula: C35H43N5O2S MolecularWeight: 597.81322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3N(CCCN3CC4=CC=C(C=C4)N(C)C)CC5=CC=C(C=C5)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3N(CCCN3CC4=CC=C(C=C4)N(C)C)CC5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C35H43N5O2S/c1-27-11-21-32(22-12-27)43(41,42)36-34-10-7-6-9-33(34)35-39(25-28-13-17-30(18-14-28)37(2)3)23-8-24-40(35)26-29-15-19-31(20-16-29)38(4)5/h6-7,9-22,35-36H,8,23-26H2,1-5H3