dimethyl-[(1R)-2-[(6-morpholin-4-ylsulfonyl-2-oxidanylidene-1H-quinolin-4-yl)carbonylamino]-1-thiophen-2-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[(6-morpholin-4-ylsulfonyl-2-oxidanylidene-1H-quinolin-4-yl)carbonylamino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[(6-morpholinosulfonyl-2-oxo-1H-quinoline-4-carbonyl)amino]-1-(2-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[[[6-(4-morpholinylsulfonyl)-2-oxo-1H-quinolin-4-yl]-oxomethyl]amino]-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[(6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carbonyl)amino]-1-thiophen-2-ylethyl]azanium Traditional Name: [(1R)-2-[(2-keto-6-morpholinosulfonyl-1H-quinoline-4-carbonyl)amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C22H27N4O5S2+ MolecularWeight: 491.60358

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CS4

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CS4

InChI

InChI=1S/C22H26N4O5S2/c1-25(2)19(20-4-3-11-32-20)14-23-22(28)17-13-21(27)24-18-6-5-15(12-16(17)18)33(29,30)26-7-9-31-10-8-26/h3-6,11-13,19H,7-10,14H2,1-2H3,(H,23,28)(H,24,27)/p+1/t19-/m1/s1