2-[1-methyl-5-(4-methylphenyl)sulfonyl-indol-3-yl]ethanamine

Systemtic Name: 2-[1-methyl-5-(4-methylphenyl)sulfonyl-indol-3-yl]ethanamine Openeye Name: 2-[1-methyl-5-(p-tolylsulfonyl)indol-3-yl]ethanamine CAS Name: 2-[1-methyl-5-(4-methylphenyl)sulfonyl-3-indolyl]ethanamine IUPAC Name: 2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethanamine Traditional Name: 2-(1-methyl-5-tosyl-indol-3-yl)ethylamine Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3CCN)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)N(C=C3CCN)C

InChI

InChI=1S/C18H20N2O2S/c1-13-3-5-15(6-4-13)23(21,22)16-7-8-18-17(11-16)14(9-10-19)12-20(18)2/h3-8,11-12H,9-10,19H2,1-2H3