(6-azanyl-1-methoxy-hexan-2-yl)-(4-methylphenyl)sulfonyl-(2-methylpropyl)-phenylmethoxycarbonyl-azanium

Systemtic Name: (6-azanyl-1-methoxy-hexan-2-yl)-(4-methylphenyl)sulfonyl-(2-methylpropyl)-phenylmethoxycarbonyl-azanium Openeye Name: [5-amino-1-(methoxymethyl)pentyl]-benzyloxycarbonyl-isobutyl-(p-tolylsulfonyl)ammonium CAS Name: (6-amino-1-methoxyhexan-2-yl)-(4-methylphenyl)sulfonyl-(2-methylpropyl)-phenylmethoxycarbonylammonium IUPAC Name: (6-amino-1-methoxyhexan-2-yl)-(4-methylphenyl)sulfonyl-(2-methylpropyl)-phenylmethoxycarbonylazanium Traditional Name: [5-amino-1-(methoxymethyl)pentyl]-carbobenzoxy-isobutyl-tosyl-ammonium Formula: C26H39N2O5S+ MolecularWeight: 491.66326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N+](CC(C)C)(C(CCCCN)COC)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N+](CC(C)C)(C(CCCCN)COC)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C26H39N2O5S/c1-21(2)18-28(24(20-32-4)12-8-9-17-27,26(29)33-19-23-10-6-5-7-11-23)34(30,31)25-15-13-22(3)14-16-25/h5-7,10-11,13-16,21,24H,8-9,12,17-20,27H2,1-4H3/q+1