2-[4-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)sulfonylpiperazin-1-ium-1-yl]-N-(4-ethoxyphenyl)ethanamide

Systemtic Name: 2-[4-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)sulfonylpiperazin-1-ium-1-yl]-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[4-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)sulfonylpiperazin-1-ium-1-yl]-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[4-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)sulfonyl]-1-piperazin-1-iumyl]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-ium-1-yl]-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[4-(2-keto-1,3-dimethyl-benzimidazol-5-yl)sulfonylpiperazin-1-ium-1-yl]-N-p-phenetyl-acetamide Formula: C23H30N5O5S+ MolecularWeight: 488.5798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)N4C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)N4C)C

InChI

InChI=1S/C23H29N5O5S/c1-4-33-18-7-5-17(6-8-18)24-22(29)16-27-11-13-28(14-12-27)34(31,32)19-9-10-20-21(15-19)26(3)23(30)25(20)2/h5-10,15H,4,11-14,16H2,1-3H3,(H,24,29)/p+1