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

Systemtic Name: [4-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C25H32N5O4S+ MolecularWeight: 498.61768

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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)C(=O)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O4S/c1-2-30-23-9-8-21(35(32,33)29-14-16-34-17-15-29)18-22(23)26-24(30)19-27-10-12-28(13-11-27)25(31)20-6-4-3-5-7-20/h3-9,18H,2,10-17,19H2,1H3/p+1