3-(2,6-diethylphenyl)-2-(phenylmethyl)sulfonyl-imidazole-4-carboxylate; piperidin-1-ium

Systemtic Name: 3-(2,6-diethylphenyl)-2-(phenylmethyl)sulfonyl-imidazole-4-carboxylate; piperidin-1-ium Openeye Name: 2-benzylsulfonyl-3-(2,6-diethylphenyl)imidazole-4-carboxylate; piperidin-1-ium CAS Name: 3-(2,6-diethylphenyl)-2-(phenylmethyl)sulfonyl-4-imidazolecarboxylate; piperidin-1-ium IUPAC Name: 2-benzylsulfonyl-3-(2,6-diethylphenyl)imidazole-4-carboxylate; piperidin-1-ium Traditional Name: 2-benzylsulfonyl-3-(2,6-diethylphenyl)imidazole-4-carboxylate; piperidin-1-ium Formula: C26H33N3O4S MolecularWeight: 483.62292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=CN=C2S(=O)(=O)CC3=CC=CC=C3)C(=O)[O-].C1CC[NH2+]CC1

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=CN=C2S(=O)(=O)CC3=CC=CC=C3)C(=O)[O-].C1CC[NH2+]CC1

InChI

InChI=1S/C21H22N2O4S.C5H11N/c1-3-16-11-8-12-17(4-2)19(16)23-18(20(24)25)13-22-21(23)28(26,27)14-15-9-6-5-7-10-15;1-2-4-6-5-3-1/h5-13H,3-4,14H2,1-2H3,(H,24,25);6H,1-5H2