dimethyl-[2-[[2-oxidanylidene-2-[[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonyl-ethyl]amino]ethanoyl]amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[2-oxidanylidene-2-[[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonyl-ethyl]amino]ethanoyl]amino]ethyl]azanium Openeye Name: dimethyl-[2-[[2-oxo-2-[[(2S)-2-(3-pyridyl)-2-(2-thienylsulfonyl)ethyl]amino]acetyl]amino]ethyl]ammonium CAS Name: 2-[[1,2-dioxo-2-[[(2S)-2-(3-pyridinyl)-2-thiophen-2-ylsulfonylethyl]amino]ethyl]amino]ethyl-dimethylammonium IUPAC Name: dimethyl-[2-[[2-oxo-2-[[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]amino]acetyl]amino]ethyl]azanium Traditional Name: 2-[[2-keto-2-[[(2S)-2-(3-pyridyl)-2-(2-thienylsulfonyl)ethyl]amino]acetyl]amino]ethyl-dimethyl-ammonium Formula: C17H23N4O4S2+ MolecularWeight: 411.51892

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C(=O)NCC(C1=CN=CC=C1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

C[NH+](C)CCNC(=O)C(=O)NC[C@H](C1=CN=CC=C1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C17H22N4O4S2/c1-21(2)9-8-19-16(22)17(23)20-12-14(13-5-3-7-18-11-13)27(24,25)15-6-4-10-26-15/h3-7,10-11,14H,8-9,12H2,1-2H3,(H,19,22)(H,20,23)/p+1/t14-/m1/s1