dimethyl-[2-[3-methyl-4-[phenethyl-(phenylmethyl)sulfamoyl]-1,2-oxazol-5-yl]ethenyl]azanium

Systemtic Name: dimethyl-[2-[3-methyl-4-[phenethyl-(phenylmethyl)sulfamoyl]-1,2-oxazol-5-yl]ethenyl]azanium Openeye Name: 2-[4-[benzyl(phenethyl)sulfamoyl]-3-methyl-isoxazol-5-yl]vinyl-dimethyl-ammonium CAS Name: dimethyl-[2-[3-methyl-4-[phenethyl-(phenylmethyl)sulfamoyl]-5-isoxazolyl]ethenyl]ammonium IUPAC Name: 2-[4-[benzyl(phenethyl)sulfamoyl]-3-methyl-1,2-oxazol-5-yl]ethenyl-dimethylazanium Traditional Name: 2-[4-[benzyl(phenethyl)sulfamoyl]-3-methyl-isoxazol-5-yl]vinyl-dimethyl-ammonium Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1S(=O)(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)C=C[NH+](C)C

Isomeric SMILES

CC1=NOC(=C1S(=O)(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)C=C[NH+](C)C

InChI

InChI=1S/C23H27N3O3S/c1-19-23(22(29-24-19)15-16-25(2)3)30(27,28)26(18-21-12-8-5-9-13-21)17-14-20-10-6-4-7-11-20/h4-13,15-16H,14,17-18H2,1-3H3/p+1