4-[1-butyl-2-(naphthalen-1-ylmethylsulfanylmethyl)benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[1-butyl-2-(naphthalen-1-ylmethylsulfanylmethyl)benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[1-butyl-2-(1-naphthylmethylsulfanylmethyl)benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[1-butyl-2-[(1-naphthalenylmethylthio)methyl]-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[1-butyl-2-(naphthalen-1-ylmethylsulfanylmethyl)benzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[1-butyl-2-[(1-naphthylmethylthio)methyl]benzimidazol-5-yl]sulfonylmorpholine Formula: C27H31N3O3S2 MolecularWeight: 509.68334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H31N3O3S2/c1-2-3-13-30-26-12-11-23(35(31,32)29-14-16-33-17-15-29)18-25(26)28-27(30)20-34-19-22-9-6-8-21-7-4-5-10-24(21)22/h4-12,18H,2-3,13-17,19-20H2,1H3