1-(chloromethylsulfonyl)-4-phenyl-butan-2-amine; 4-methylbenzenesulfonic acid

Systemtic Name: 1-(chloromethylsulfonyl)-4-phenyl-butan-2-amine; 4-methylbenzenesulfonic acid Openeye Name: 1-(chloromethylsulfonyl)-4-phenyl-butan-2-amine; 4-methylbenzenesulfonic acid CAS Name: 1-(chloromethylsulfonyl)-4-phenyl-2-butanamine; 4-methylbenzenesulfonic acid IUPAC Name: 1-(chloromethylsulfonyl)-4-phenylbutan-2-amine; 4-methylbenzenesulfonic acid Traditional Name: [1-(chloromethylsulfonylmethyl)-3-phenyl-propyl]amine; tosylic acid Formula: C18H24ClNO5S2 MolecularWeight: 433.96986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CCC(CS(=O)(=O)CCl)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CCC(CS(=O)(=O)CCl)N

InChI

InChI=1S/C11H16ClNO2S.C7H8O3S/c12-9-16(14,15)8-11(13)7-6-10-4-2-1-3-5-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,11H,6-9,13H2;2-5H,1H3,(H,8,9,10)