4-methylbenzenesulfonic acid; pyrrolidine-2-carbonitrile

Systemtic Name: 4-methylbenzenesulfonic acid; pyrrolidine-2-carbonitrile Openeye Name: 4-methylbenzenesulfonic acid; pyrrolidine-2-carbonitrile CAS Name: 4-methylbenzenesulfonic acid; 2-pyrrolidinecarbonitrile IUPAC Name: 4-methylbenzenesulfonic acid; pyrrolidine-2-carbonitrile Traditional Name: pyrrolidine-2-carbonitrile; tosylic acid Formula: C12H16N2O3S MolecularWeight: 268.33204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(NC1)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(NC1)C#N

InChI

InChI=1S/C7H8O3S.C5H8N2/c1-6-2-4-7(5-3-6)11(8,9)10;6-4-5-2-1-3-7-5/h2-5H,1H3,(H,8,9,10);5,7H,1-3H2