[3-[(4-chlorophenyl)amino]-3-oxidanylidene-propyl]-dimethyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: [3-[(4-chlorophenyl)amino]-3-oxidanylidene-propyl]-dimethyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: [3-(4-chloroanilino)-3-oxo-propyl]-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: [3-(4-chloroanilino)-3-oxopropyl]-dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: [3-(4-chloroanilino)-3-oxopropyl]-dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: [3-(4-chloroanilino)-3-keto-propyl]-dimethyl-sulfonium tosylate Formula: C18H22ClNO4S2 MolecularWeight: 415.95458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](C)CCC(=O)NC1=CC=C(C=C1)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](C)CCC(=O)NC1=CC=C(C=C1)Cl

InChI

InChI=1S/C11H14ClNOS.C7H8O3S/c1-15(2)8-7-11(14)13-10-5-3-9(12)4-6-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,7-8H2,1-2H3;2-5H,1H3,(H,8,9,10)