2-[6-(1H-indol-4-yl)-4-methyl-morpholin-2-yl]-4-methyl-benzenesulfonate; methanol

Systemtic Name: 2-[6-(1H-indol-4-yl)-4-methyl-morpholin-2-yl]-4-methyl-benzenesulfonate; methanol Openeye Name: 2-[6-(1H-indol-4-yl)-4-methyl-morpholin-2-yl]-4-methyl-benzenesulfonate; methanol CAS Name: 2-[6-(1H-indol-4-yl)-4-methyl-2-morpholinyl]-4-methylbenzenesulfonate; methanol IUPAC Name: 2-[6-(1H-indol-4-yl)-4-methylmorpholin-2-yl]-4-methylbenzenesulfonate; methanol Traditional Name: 2-[6-(1H-indol-4-yl)-4-methyl-morpholin-2-yl]-4-methyl-besylate; methanol Formula: C21H25N2O5S- MolecularWeight: 417.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])C2CN(CC(O2)C3=C4C=CNC4=CC=C3)C.CO

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])C2CN(CC(O2)C3=C4C=CNC4=CC=C3)C.CO

InChI

InChI=1S/C20H22N2O4S.CH4O/c1-13-6-7-20(27(23,24)25)16(10-13)19-12-22(2)11-18(26-19)15-4-3-5-17-14(15)8-9-21-17;1-2/h3-10,18-19,21H,11-12H2,1-2H3,(H,23,24,25);2H,1H3/p-1