phenanthridin-6-ylmethyl 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: phenanthridin-6-ylmethyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: phenanthridin-6-ylmethyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid phenanthridin-6-ylmethyl ester Formula: C24H21NO4S MolecularWeight: 419.49284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C24H21NO4S/c1-17-10-12-18(13-11-17)30(27,28)15-14-24(26)29-16-23-21-8-3-2-6-19(21)20-7-4-5-9-22(20)25-23/h2-13H,14-16H2,1H3