N-[1-[2-azanyl-5-(diethylamino)phenyl]ethyl]methanesulfonamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-[1-[2-azanyl-5-(diethylamino)phenyl]ethyl]methanesulfonamide; 4-methylbenzenesulfonic acid Openeye Name: N-[1-[2-amino-5-(diethylamino)phenyl]ethyl]methanesulfonamide; 4-methylbenzenesulfonic acid CAS Name: N-[1-[2-amino-5-(diethylamino)phenyl]ethyl]methanesulfonamide; 4-methylbenzenesulfonic acid IUPAC Name: N-[1-[2-amino-5-(diethylamino)phenyl]ethyl]methanesulfonamide; 4-methylbenzenesulfonic acid Traditional Name: N-[1-[2-amino-5-(diethylamino)phenyl]ethyl]methanesulfonamide; tosylic acid Formula: C20H31N3O5S2 MolecularWeight: 457.60724

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)N)C(C)NS(=O)(=O)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)N)C(C)NS(=O)(=O)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C13H23N3O2S.C7H8O3S/c1-5-16(6-2)11-7-8-13(14)12(9-11)10(3)15-19(4,17)18;1-6-2-4-7(5-3-6)11(8,9)10/h7-10,15H,5-6,14H2,1-4H3;2-5H,1H3,(H,8,9,10)