N-[2-(4-aminophenyl)propyl]propane-2-sulfonamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-[2-(4-aminophenyl)propyl]propane-2-sulfonamide; 4-methylbenzenesulfonic acid Openeye Name: N-[2-(4-aminophenyl)propyl]propane-2-sulfonamide; 4-methylbenzenesulfonic acid CAS Name: N-[2-(4-aminophenyl)propyl]-2-propanesulfonamide; 4-methylbenzenesulfonic acid IUPAC Name: N-[2-(4-aminophenyl)propyl]propane-2-sulfonamide; 4-methylbenzenesulfonic acid Traditional Name: N-[2-(4-aminophenyl)propyl]propane-2-sulfonamide; tosylic acid Formula: C19H28N2O5S2 MolecularWeight: 428.56602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)S(=O)(=O)NCC(C)C1=CC=C(C=C1)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)S(=O)(=O)NCC(C)C1=CC=C(C=C1)N

InChI

InChI=1S/C12H20N2O2S.C7H8O3S/c1-9(2)17(15,16)14-8-10(3)11-4-6-12(13)7-5-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,9-10,14H,8,13H2,1-3H3;2-5H,1H3,(H,8,9,10)