N-[1-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]-3-methyl-butanamide

Systemtic Name: N-[1-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]-3-methyl-butanamide Openeye Name: N-[1-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]-3-methyl-butanamide CAS Name: N-[1-ethyl-2-[(4-methylsulfonyl-1-piperazinyl)methyl]-5-benzimidazolyl]-3-methylbutanamide IUPAC Name: N-[1-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]-3-methylbutanamide Traditional Name: N-[1-ethyl-2-[(4-mesylpiperazino)methyl]benzimidazol-5-yl]-3-methyl-butyramide Formula: C20H31N5O3S MolecularWeight: 421.55684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)CC(C)C)N=C1CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)CC(C)C)N=C1CN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H31N5O3S/c1-5-25-18-7-6-16(21-20(26)12-15(2)3)13-17(18)22-19(25)14-23-8-10-24(11-9-23)29(4,27)28/h6-7,13,15H,5,8-12,14H2,1-4H3,(H,21,26)