2-[4-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenol Formula: C24H32N5O4S+ MolecularWeight: 486.60698

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+]4CCN(CC4)C5=CC=CC=C5O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+]4CCN(CC4)C5=CC=CC=C5O

InChI

InChI=1S/C24H31N5O4S/c1-2-29-21-8-7-19(34(31,32)28-13-15-33-16-14-28)17-20(21)25-24(29)18-26-9-11-27(12-10-26)22-5-3-4-6-23(22)30/h3-8,17,30H,2,9-16,18H2,1H3/p+1