dimethyl-[2-[[2-[[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]amino]-2-oxidanylidene-ethanoyl]amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[2-[[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]amino]-2-oxidanylidene-ethanoyl]amino]ethyl]azanium Openeye Name: dimethyl-[2-[[2-oxo-2-[[(2R)-2-(p-tolylsulfonyl)-2-(3-pyridyl)ethyl]amino]acetyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[[2-[[(2R)-2-(4-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]amino]-1,2-dioxoethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[2-[[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]amino]-2-oxoacetyl]amino]ethyl]azanium Traditional Name: 2-[[2-keto-2-[[(2R)-2-(3-pyridyl)-2-tosyl-ethyl]amino]acetyl]amino]ethyl-dimethyl-ammonium Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C(=O)NCC[NH+](C)C)C2=CN=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@@H](CNC(=O)C(=O)NCC[NH+](C)C)C2=CN=CC=C2

InChI

InChI=1S/C20H26N4O4S/c1-15-6-8-17(9-7-15)29(27,28)18(16-5-4-10-21-13-16)14-23-20(26)19(25)22-11-12-24(2)3/h4-10,13,18H,11-12,14H2,1-3H3,(H,22,25)(H,23,26)/p+1/t18-/m0/s1