chloranylruthenium; (2S)-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide; 1,3,5-trimethylbenzene

Systemtic Name: chloranylruthenium; (2S)-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide; 1,3,5-trimethylbenzene Openeye Name: chlororuthenium; mesitylene; (2S)-N-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: chlororuthenium; (2S)-N-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide; 1,3,5-trimethylbenzene IUPAC Name: chlororuthenium; (2S)-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide; 1,3,5-trimethylbenzene Traditional Name: chlororuthenium; mesitylene; (2S)-N-tosylpyrrolidine-2-carboxamide Formula: C21H28ClN2O3RuS MolecularWeight: 525.04662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2CCCN2.CC1=CC(=CC(=C1)C)C.Cl[Ru]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)[C@@H]2CCCN2.CC1=CC(=CC(=C1)C)C.Cl[Ru]

InChI

InChI=1S/C12H16N2O3S.C9H12.ClH.Ru/c1-9-4-6-10(7-5-9)18(16,17)14-12(15)11-3-2-8-13-11;1-7-4-8(2)6-9(3)5-7;;/h4-7,11,13H,2-3,8H2,1H3,(H,14,15);4-6H,1-3H3;1H;/q;;;+1/p-1/t11-;;;/m0.../s1