N-[2-(dimethylamino)cyclohexyl]-N-methyl-4-methylsulfonyl-benzamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-[2-(dimethylamino)cyclohexyl]-N-methyl-4-methylsulfonyl-benzamide; 4-methylbenzenesulfonic acid Openeye Name: N-[2-(dimethylamino)cyclohexyl]-N-methyl-4-methylsulfonyl-benzamide; 4-methylbenzenesulfonic acid CAS Name: N-[2-(dimethylamino)cyclohexyl]-N-methyl-4-methylsulfonylbenzamide; 4-methylbenzenesulfonic acid IUPAC Name: N-[2-(dimethylamino)cyclohexyl]-N-methyl-4-methylsulfonylbenzamide; 4-methylbenzenesulfonic acid Traditional Name: N-[2-(dimethylamino)cyclohexyl]-4-mesyl-N-methyl-benzamide; tosylic acid Formula: C24H34N2O6S2 MolecularWeight: 510.66656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)C1CCCCC1N(C)C(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)C1CCCCC1N(C)C(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C17H26N2O3S.C7H8O3S/c1-18(2)15-7-5-6-8-16(15)19(3)17(20)13-9-11-14(12-10-13)23(4,21)22;1-6-2-4-7(5-3-6)11(8,9)10/h9-12,15-16H,5-8H2,1-4H3;2-5H,1H3,(H,8,9,10)