[2-[2-(dimethylamino)ethanoylamino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate

Systemtic Name: [2-[2-(dimethylamino)ethanoylamino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Openeye Name: [2-[[2-(dimethylamino)acetyl]amino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate CAS Name: 4-(cyclopentylamino)benzenesulfonic acid [2-[[2-(dimethylamino)-1-oxoethyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-[[2-(dimethylamino)acetyl]amino]-3H-benzimidazol-5-yl] 4-(cyclopentylamino)benzenesulfonate Traditional Name: 4-(cyclopentylamino)benzenesulfonic acid [2-[[2-(dimethylamino)acetyl]amino]-3H-benzimidazol-5-yl] ester Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NC4CCCC4

Isomeric SMILES

CN(C)CC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NC4CCCC4

InChI

InChI=1S/C22H27N5O4S/c1-27(2)14-21(28)26-22-24-19-12-9-17(13-20(19)25-22)31-32(29,30)18-10-7-16(8-11-18)23-15-5-3-4-6-15/h7-13,15,23H,3-6,14H2,1-2H3,(H2,24,25,26,28)