N,N-dibutyl-3,5-bis[(4-dimethylaminophenyl)-phenyl-methyl]benzenesulfonamide

Systemtic Name: N,N-dibutyl-3,5-bis[(4-dimethylaminophenyl)-phenyl-methyl]benzenesulfonamide Openeye Name: N,N-dibutyl-3,5-bis[(4-dimethylaminophenyl)-phenyl-methyl]benzenesulfonamide CAS Name: N,N-dibutyl-3,5-bis[(4-dimethylaminophenyl)-phenylmethyl]benzenesulfonamide IUPAC Name: N,N-dibutyl-3,5-bis[(4-dimethylaminophenyl)-phenylmethyl]benzenesulfonamide Traditional Name: N,N-dibutyl-3,5-bis[(4-dimethylaminophenyl)-phenyl-methyl]benzenesulfonamide Formula: C44H53N3O2S MolecularWeight: 687.97552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)C1=CC(=CC(=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C)C(C4=CC=CC=C4)C5=CC=C(C=C5)N(C)C

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC(=CC(=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C)C(C4=CC=CC=C4)C5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C44H53N3O2S/c1-7-9-29-47(30-10-8-2)50(48,49)42-32-38(43(34-17-13-11-14-18-34)36-21-25-40(26-22-36)45(3)4)31-39(33-42)44(35-19-15-12-16-20-35)37-23-27-41(28-24-37)46(5)6/h11-28,31-33,43-44H,7-10,29-30H2,1-6H3