(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)-[(4-methoxyphenyl)methyl]-oxidanyl-(phenylsulfonyl)azanium

Systemtic Name: (1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)-[(4-methoxyphenyl)methyl]-oxidanyl-(phenylsulfonyl)azanium Openeye Name: benzenesulfonyl-(1-carbamoyl-3-methyl-butyl)-hydroxy-[(4-methoxyphenyl)methyl]ammonium CAS Name: (1-amino-4-methyl-1-oxopentan-2-yl)-(benzenesulfonyl)-hydroxy-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: (1-amino-4-methyl-1-oxopentan-2-yl)-(benzenesulfonyl)-hydroxy-[(4-methoxyphenyl)methyl]azanium Traditional Name: besyl-(1-carbamoyl-3-methyl-butyl)-hydroxy-p-anisyl-ammonium Formula: C20H27N2O5S+ MolecularWeight: 407.50378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5S/c1-15(2)13-19(20(21)23)22(24,14-16-9-11-17(27-3)12-10-16)28(25,26)18-7-5-4-6-8-18/h4-12,15,19,24H,13-14H2,1-3H3,(H-,21,23)/p+1