methanesulfonic acid; (4-methoxyphenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone; hydrate

Systemtic Name: methanesulfonic acid; (4-methoxyphenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone; hydrate Openeye Name: methanesulfonic acid; (4-methoxyphenyl)-[1-(2-morpholinoethyl)indol-3-yl]methanone; hydrate CAS Name: methanesulfonic acid; (4-methoxyphenyl)-[1-[2-(4-morpholinyl)ethyl]-3-indolyl]methanone; hydrate IUPAC Name: methanesulfonic acid; (4-methoxyphenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone; hydrate Traditional Name: mesylic acid; (4-methoxyphenyl)-[1-(2-morpholinoethyl)indol-3-yl]methanone; hydrate Formula: C23H30N2O7S MolecularWeight: 478.5585

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=CN(C3=CC=CC=C32)CCN4CCOCC4.CS(=O)(=O)O.O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=CN(C3=CC=CC=C32)CCN4CCOCC4.CS(=O)(=O)O.O

InChI

InChI=1S/C22H24N2O3.CH4O3S.H2O/c1-26-18-8-6-17(7-9-18)22(25)20-16-24(21-5-3-2-4-19(20)21)11-10-23-12-14-27-15-13-23;1-5(2,3)4;/h2-9,16H,10-15H2,1H3;1H3,(H,2,3,4);1H2