methanesulfonic acid; (4-phenyl-2,3-dihydropyrrol-1-yl)-pyridin-3-yl-methanone

Systemtic Name: methanesulfonic acid; (4-phenyl-2,3-dihydropyrrol-1-yl)-pyridin-3-yl-methanone Openeye Name: methanesulfonic acid; (4-phenyl-2,3-dihydropyrrol-1-yl)-(3-pyridyl)methanone CAS Name: methanesulfonic acid; (4-phenyl-2,3-dihydropyrrol-1-yl)-(3-pyridinyl)methanone IUPAC Name: methanesulfonic acid; (4-phenyl-2,3-dihydropyrrol-1-yl)-pyridin-3-ylmethanone Traditional Name: mesylic acid; (3-phenyl-2-pyrrolin-1-yl)-(3-pyridyl)methanone Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CN(C=C1C2=CC=CC=C2)C(=O)C3=CN=CC=C3

Isomeric SMILES

CS(=O)(=O)O.C1CN(C=C1C2=CC=CC=C2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C16H14N2O.CH4O3S/c19-16(14-7-4-9-17-11-14)18-10-8-15(12-18)13-5-2-1-3-6-13;1-5(2,3)4/h1-7,9,11-12H,8,10H2;1H3,(H,2,3,4)