[(1S,2R)-2-[(4-methylphenyl)sulfonylamino]-1,2-dihydroacenaphthylen-1-yl] propanoate

Systemtic Name: [(1S,2R)-2-[(4-methylphenyl)sulfonylamino]-1,2-dihydroacenaphthylen-1-yl] propanoate Openeye Name: [(1S,2R)-2-(p-tolylsulfonylamino)-1,2-dihydroacenaphthylen-1-yl] propanoate CAS Name: propanoic acid [(1S,2R)-2-[(4-methylphenyl)sulfonylamino]-1,2-dihydroacenaphthylen-1-yl] ester IUPAC Name: [(1S,2R)-2-[(4-methylphenyl)sulfonylamino]-1,2-dihydroacenaphthylen-1-yl] propanoate Traditional Name: propionic acid [(1S,2R)-2-(tosylamino)acenaphthen-1-yl] ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1C(C2=CC=CC3=C2C1=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(=O)O[C@@H]1[C@@H](C2=CC=CC3=C2C1=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H21NO4S/c1-3-19(24)27-22-18-9-5-7-15-6-4-8-17(20(15)18)21(22)23-28(25,26)16-12-10-14(2)11-13-16/h4-13,21-23H,3H2,1-2H3/t21-,22+/m1/s1