4-methylbenzenesulfonic acid; 1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-amine

Systemtic Name: 4-methylbenzenesulfonic acid; 1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-amine Openeye Name: 4-methylbenzenesulfonic acid; 1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-amine CAS Name: 4-methylbenzenesulfonic acid; 1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinamine IUPAC Name: 4-methylbenzenesulfonic acid; 1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-amine Traditional Name: (1-mesitylsulfonyl-4-piperidyl)amine; tosylic acid Formula: C21H30N2O5S2 MolecularWeight: 454.6033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)N)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)N)C

InChI

InChI=1S/C14H22N2O2S.C7H8O3S/c1-10-8-11(2)14(12(3)9-10)19(17,18)16-6-4-13(15)5-7-16;1-6-2-4-7(5-3-6)11(8,9)10/h8-9,13H,4-7,15H2,1-3H3;2-5H,1H3,(H,8,9,10)