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

Systemtic Name: (6-azanyl-1-methoxy-1-oxidanylidene-hexan-2-yl)-(4-methylphenyl)sulfonyl-(2-methylpropyl)-phenylmethoxycarbonyl-azanium Openeye Name: (5-amino-1-methoxycarbonyl-pentyl)-benzyloxycarbonyl-isobutyl-(p-tolylsulfonyl)ammonium CAS Name: (6-amino-1-methoxy-1-oxohexan-2-yl)-(4-methylphenyl)sulfonyl-(2-methylpropyl)-phenylmethoxycarbonylammonium IUPAC Name: (6-amino-1-methoxy-1-oxohexan-2-yl)-(4-methylphenyl)sulfonyl-(2-methylpropyl)-phenylmethoxycarbonylazanium Traditional Name: (5-amino-1-carbomethoxy-pentyl)-carbobenzoxy-isobutyl-tosyl-ammonium Formula: C26H37N2O6S+ MolecularWeight: 505.64678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N2O6S/c1-20(2)18-28(24(25(29)33-4)12-8-9-17-27,26(30)34-19-22-10-6-5-7-11-22)35(31,32)23-15-13-21(3)14-16-23/h5-7,10-11,13-16,20,24H,8-9,12,17-19,27H2,1-4H3/q+1