1-[4,5-bis(4-methylsulfonylphenyl)thiophen-2-yl]-N,N-dimethyl-methanamine hydrochloride

Systemtic Name: 1-[4,5-bis(4-methylsulfonylphenyl)thiophen-2-yl]-N,N-dimethyl-methanamine hydrochloride Openeye Name: 1-[4,5-bis(4-methylsulfonylphenyl)-2-thienyl]-N,N-dimethyl-methanamine hydrochloride CAS Name: 1-[4,5-bis(4-methylsulfonylphenyl)-2-thiophenyl]-N,N-dimethylmethanamine hydrochloride IUPAC Name: 1-[4,5-bis(4-methylsulfonylphenyl)thiophen-2-yl]-N,N-dimethylmethanamine hydrochloride Traditional Name: [4,5-bis(4-mesylphenyl)-2-thienyl]methyl-dimethyl-amine hydrochloride Formula: C21H24ClNO4S3 MolecularWeight: 486.06756

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=C(S1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)S(=O)(=O)C.Cl

Isomeric SMILES

CN(C)CC1=CC(=C(S1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)S(=O)(=O)C.Cl

InChI

InChI=1S/C21H23NO4S3.ClH/c1-22(2)14-17-13-20(15-5-9-18(10-6-15)28(3,23)24)21(27-17)16-7-11-19(12-8-16)29(4,25)26;/h5-13H,14H2,1-4H3;1H