4-[[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]methyl]benzoic acid Openeye Name: 4-[[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]methyl]benzoic acid CAS Name: 4-[[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]methyl]benzoic acid IUPAC Name: 4-[[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]methyl]benzoic acid Traditional Name: 4-[[acenaphthen-5-yl(mesyl)amino]methyl]benzoic acid Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)O)C2=C3C=CC=C4C3=C(CC4)C=C2

Isomeric SMILES

CS(=O)(=O)N(CC1=CC=C(C=C1)C(=O)O)C2=C3C=CC=C4C3=C(CC4)C=C2

InChI

InChI=1S/C21H19NO4S/c1-27(25,26)22(13-14-5-7-17(8-6-14)21(23)24)19-12-11-16-10-9-15-3-2-4-18(19)20(15)16/h2-8,11-12H,9-10,13H2,1H3,(H,23,24)