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

Systemtic Name: N,N-dibutyl-3,5-bis[(4-dimethylaminophenyl)-phenyl-methyl]-4-oxidanyl-benzenesulfonamide Openeye Name: N,N-dibutyl-3,5-bis[(4-dimethylaminophenyl)-phenyl-methyl]-4-hydroxy-benzenesulfonamide CAS Name: N,N-dibutyl-3,5-bis[(4-dimethylaminophenyl)-phenylmethyl]-4-hydroxybenzenesulfonamide IUPAC Name: N,N-dibutyl-3,5-bis[(4-dimethylaminophenyl)-phenylmethyl]-4-hydroxybenzenesulfonamide Traditional Name: N,N-dibutyl-3,5-bis[(4-dimethylaminophenyl)-phenyl-methyl]-4-hydroxy-benzenesulfonamide Formula: C44H53N3O3S MolecularWeight: 703.97492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H53N3O3S/c1-7-9-29-47(30-10-8-2)51(49,50)39-31-40(42(33-17-13-11-14-18-33)35-21-25-37(26-22-35)45(3)4)44(48)41(32-39)43(34-19-15-12-16-20-34)36-23-27-38(28-24-36)46(5)6/h11-28,31-32,42-43,48H,7-10,29-30H2,1-6H3