2-[5-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]sulfanyl-N,N-dimethyl-ethanamine

Systemtic Name: 2-[5-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]sulfanyl-N,N-dimethyl-ethanamine Openeye Name: 2-[5-methoxy-2-methyl-1-(p-tolylsulfonyl)indol-3-yl]sulfanyl-N,N-dimethyl-ethanamine CAS Name: 2-[[5-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-indolyl]thio]-N,N-dimethylethanamine IUPAC Name: 2-[5-methoxy-2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]sulfanyl-N,N-dimethylethanamine Traditional Name: 2-[(5-methoxy-2-methyl-1-tosyl-indol-3-yl)thio]ethyl-dimethyl-amine Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C3=C2C=CC(=C3)OC)SCCN(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C3=C2C=CC(=C3)OC)SCCN(C)C)C

InChI

InChI=1S/C21H26N2O3S2/c1-15-6-9-18(10-7-15)28(24,25)23-16(2)21(27-13-12-22(3)4)19-14-17(26-5)8-11-20(19)23/h6-11,14H,12-13H2,1-5H3