[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone Openeye Name: [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone CAS Name: [4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-(4-methylsulfonyl-1-piperazinyl)methanone IUPAC Name: [4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone Traditional Name: [4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-(4-mesylpiperazino)methanone Formula: C20H22N4O3S2 MolecularWeight: 430.54368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H22N4O3S2/c1-29(26,27)24-12-10-23(11-13-24)19(25)16-8-6-15(7-9-16)14-28-20-21-17-4-2-3-5-18(17)22-20/h2-9H,10-14H2,1H3,(H,21,22)