methyl-[(2S)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: methyl-[(2S)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-methyl-[(1S)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: methyl-[(2S)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl]-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: methyl-[(2S)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[(1S)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl]-methyl-ammonium Formula: C24H32N3O4S+ MolecularWeight: 458.59358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+](C)CC3=CC=C(C=C3)OCC=C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+](C)CC3=CC=C(C=C3)OCC=C

InChI

InChI=1S/C24H31N3O4S/c1-4-17-31-22-11-7-20(8-12-22)18-26(3)19(2)24(28)25-21-9-13-23(14-10-21)32(29,30)27-15-5-6-16-27/h4,7-14,19H,1,5-6,15-18H2,2-3H3,(H,25,28)/p+1/t19-/m0/s1