[(1R)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]-[(4-piperidin-1-ylsulfonylphenyl)methyl]azanium

Systemtic Name: [(1R)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]-[(4-piperidin-1-ylsulfonylphenyl)methyl]azanium Openeye Name: [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl]-[[4-(1-piperidylsulfonyl)phenyl]methyl]ammonium CAS Name: [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-[[4-(1-piperidinylsulfonyl)phenyl]methyl]ammonium IUPAC Name: [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-[(4-piperidin-1-ylsulfonylphenyl)methyl]azanium Traditional Name: [(1R)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl]-(4-piperidinosulfonylbenzyl)ammonium Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)[NH2+]CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CNC(=O)NC(=O)[C@@H](C1=CC=CC=C1)[NH2+]CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H28N4O4S/c1-23-22(28)25-21(27)20(18-8-4-2-5-9-18)24-16-17-10-12-19(13-11-17)31(29,30)26-14-6-3-7-15-26/h2,4-5,8-13,20,24H,3,6-7,14-16H2,1H3,(H2,23,25,27,28)/p+1/t20-/m1/s1