[2-[8-(dimethylamino)octylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone; 4-methylbenzenesulfonic acid

Systemtic Name: [2-[8-(dimethylamino)octylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone; 4-methylbenzenesulfonic acid Openeye Name: [2-[8-(dimethylamino)octylsulfanyl]-6-isopropyl-3-pyridyl]-(2-thienyl)methanone; 4-methylbenzenesulfonic acid CAS Name: [2-[8-(dimethylamino)octylthio]-6-propan-2-yl-3-pyridinyl]-thiophen-2-ylmethanone; 4-methylbenzenesulfonic acid IUPAC Name: [2-[8-(dimethylamino)octylsulfanyl]-6-propan-2-ylpyridin-3-yl]-thiophen-2-ylmethanone; 4-methylbenzenesulfonic acid Traditional Name: [2-[8-(dimethylamino)octylthio]-6-isopropyl-3-pyridyl]-(2-thienyl)methanone; tosylic acid Formula: C30H42N2O4S3 MolecularWeight: 590.86048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCCCN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCCCN(C)C

InChI

InChI=1S/C23H34N2OS2.C7H8O3S/c1-18(2)20-14-13-19(22(26)21-12-11-17-27-21)23(24-20)28-16-10-8-6-5-7-9-15-25(3)4;1-6-2-4-7(5-3-6)11(8,9)10/h11-14,17-18H,5-10,15-16H2,1-4H3;2-5H,1H3,(H,8,9,10)