methanesulfonic acid; [4-methyl-7-(phenoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]methanol

Systemtic Name: methanesulfonic acid; [4-methyl-7-(phenoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]methanol Openeye Name: methanesulfonic acid; [4-methyl-7-(phenoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]methanol CAS Name: methanesulfonic acid; [4-methyl-7-(phenoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]methanol IUPAC Name: methanesulfonic acid; [4-methyl-7-(phenoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]methanol Traditional Name: mesylic acid; [4-methyl-7-(phenoxymethyl)-2,3-dihydro-1H-cyclopent[b]indol-2-yl]methanol Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(C2)CO)C3=C1C=CC(=C3)COC4=CC=CC=C4.CS(=O)(=O)O

Isomeric SMILES

CN1C2=C(CC(C2)CO)C3=C1C=CC(=C3)COC4=CC=CC=C4.CS(=O)(=O)O

InChI

InChI=1S/C20H21NO2.CH4O3S/c1-21-19-8-7-14(13-23-16-5-3-2-4-6-16)9-17(19)18-10-15(12-22)11-20(18)21;1-5(2,3)4/h2-9,15,22H,10-13H2,1H3;1H3,(H,2,3,4)