1-[(2S)-2-(4-dimethylaminophenyl)-3-(4-methylphenyl)sulfonyl-2H-benzimidazol-1-yl]-2-morpholin-4-ium-4-yl-ethanone

Systemtic Name: 1-[(2S)-2-(4-dimethylaminophenyl)-3-(4-methylphenyl)sulfonyl-2H-benzimidazol-1-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 1-[(2S)-2-(4-dimethylaminophenyl)-3-(p-tolylsulfonyl)-2H-benzimidazol-1-yl]-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[(2S)-2-(4-dimethylaminophenyl)-3-(4-methylphenyl)sulfonyl-2H-benzimidazol-1-yl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[(2S)-2-(4-dimethylaminophenyl)-3-(4-methylphenyl)sulfonyl-2H-benzimidazol-1-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-[(2S)-2-(4-dimethylaminophenyl)-3-tosyl-2H-benzimidazol-1-yl]-2-morpholin-4-ium-4-yl-ethanone Formula: C28H33N4O4S+ MolecularWeight: 521.65102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(N(C3=CC=CC=C32)C(=O)C[NH+]4CCOCC4)C5=CC=C(C=C5)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@H](N(C3=CC=CC=C32)C(=O)C[NH+]4CCOCC4)C5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C28H32N4O4S/c1-21-8-14-24(15-9-21)37(34,35)32-26-7-5-4-6-25(26)31(27(33)20-30-16-18-36-19-17-30)28(32)22-10-12-23(13-11-22)29(2)3/h4-15,28H,16-20H2,1-3H3/p+1/t28-/m0/s1