2-butyl-8-chloranyl-3-methyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine; methanesulfonic acid

Systemtic Name: 2-butyl-8-chloranyl-3-methyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine; methanesulfonic acid Openeye Name: 2-butyl-8-chloro-3-methyl-4-phenyl-3,4-dihydro-1H-benzothiopheno[3,2-c]pyridine; methanesulfonic acid CAS Name: 2-butyl-8-chloro-3-methyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine; methanesulfonic acid IUPAC Name: 2-butyl-8-chloro-3-methyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridine; methanesulfonic acid Traditional Name: 2-butyl-8-chloro-3-methyl-4-phenyl-3,4-dihydro-1H-benzothiopheno[3,2-c]pyridine; mesylic acid Formula: C23H28ClNO3S2 MolecularWeight: 466.05632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2=C(C(C1C)C3=CC=CC=C3)SC4=C2C=C(C=C4)Cl.CS(=O)(=O)O

Isomeric SMILES

CCCCN1CC2=C(C(C1C)C3=CC=CC=C3)SC4=C2C=C(C=C4)Cl.CS(=O)(=O)O

InChI

InChI=1S/C22H24ClNS.CH4O3S/c1-3-4-12-24-14-19-18-13-17(23)10-11-20(18)25-22(19)21(15(24)2)16-8-6-5-7-9-16;1-5(2,3)4/h5-11,13,15,21H,3-4,12,14H2,1-2H3;1H3,(H,2,3,4)