(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide

Systemtic Name: (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide Openeye Name: (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide CAS Name: (2R)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide IUPAC Name: (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide Traditional Name: (2R)-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C21H26N5O5S+ MolecularWeight: 460.52664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)NC(=O)N2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H25N5O5S/c1-14(20(27)22-15-3-8-18-19(13-15)24-21(28)23-18)25-9-11-26(12-10-25)32(29,30)17-6-4-16(31-2)5-7-17/h3-8,13-14H,9-12H2,1-2H3,(H,22,27)(H2,23,24,28)/p+1/t14-/m1/s1