N-[[4-[3-(2-azanylethyl)-2-oxidanylidene-benzimidazol-1-yl]-1-(cyclooctylmethyl)piperidin-3-yl]methyl]methanesulfonamide

Systemtic Name: N-[[4-[3-(2-azanylethyl)-2-oxidanylidene-benzimidazol-1-yl]-1-(cyclooctylmethyl)piperidin-3-yl]methyl]methanesulfonamide Openeye Name: N-[[4-[3-(2-aminoethyl)-2-oxo-benzimidazol-1-yl]-1-(cyclooctylmethyl)-3-piperidyl]methyl]methanesulfonamide CAS Name: N-[[4-[3-(2-aminoethyl)-2-oxo-1-benzimidazolyl]-1-(cyclooctylmethyl)-3-piperidinyl]methyl]methanesulfonamide IUPAC Name: N-[[4-[3-(2-aminoethyl)-2-oxobenzimidazol-1-yl]-1-(cyclooctylmethyl)piperidin-3-yl]methyl]methanesulfonamide Traditional Name: N-[[4-[3-(2-aminoethyl)-2-keto-benzimidazol-1-yl]-1-(cyclooctylmethyl)-3-piperidyl]methyl]methanesulfonamide Formula: C25H41N5O3S MolecularWeight: 491.68974

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1CN(CCC1N2C3=CC=CC=C3N(C2=O)CCN)CC4CCCCCCC4

Isomeric SMILES

CS(=O)(=O)NCC1CN(CCC1N2C3=CC=CC=C3N(C2=O)CCN)CC4CCCCCCC4

InChI

InChI=1S/C25H41N5O3S/c1-34(32,33)27-17-21-19-28(18-20-9-5-3-2-4-6-10-20)15-13-22(21)30-24-12-8-7-11-23(24)29(16-14-26)25(30)31/h7-8,11-12,20-22,27H,2-6,9-10,13-19,26H2,1H3