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

Systemtic Name: 2-[1-methyl-5-(4-methylphenyl)sulfonyl-indol-3-yl]ethanamine hydrochloride Openeye Name: 2-[1-methyl-5-(p-tolylsulfonyl)indol-3-yl]ethanamine hydrochloride CAS Name: 2-[1-methyl-5-(4-methylphenyl)sulfonyl-3-indolyl]ethanamine hydrochloride IUPAC Name: 2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethanamine hydrochloride Traditional Name: 2-(1-methyl-5-tosyl-indol-3-yl)ethylamine hydrochloride Formula: C18H21ClN2O2S MolecularWeight: 364.88954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2S.ClH/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;1H