2-azanyl-4-(4-methoxyphenyl)sulfonyl-3-(5-oxidanyl-5-oxidanylidene-pentoxy)-5-(phenylmethyl)benzoic acid

Systemtic Name: 2-azanyl-4-(4-methoxyphenyl)sulfonyl-3-(5-oxidanyl-5-oxidanylidene-pentoxy)-5-(phenylmethyl)benzoic acid Openeye Name: 2-amino-5-benzyl-3-(5-hydroxy-5-oxo-pentoxy)-4-(4-methoxyphenyl)sulfonyl-benzoic acid CAS Name: 2-amino-3-(5-hydroxy-5-oxopentoxy)-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)benzoic acid IUPAC Name: 2-amino-5-benzyl-3-(5-hydroxy-5-oxopentoxy)-4-(4-methoxyphenyl)sulfonylbenzoic acid Traditional Name: 2-amino-5-benzyl-3-(5-hydroxy-5-keto-pentoxy)-4-(4-methoxyphenyl)sulfonyl-benzoic acid Formula: C26H27NO8S MolecularWeight: 513.55948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2OCCCCC(=O)O)N)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2OCCCCC(=O)O)N)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C26H27NO8S/c1-34-19-10-12-20(13-11-19)36(32,33)25-18(15-17-7-3-2-4-8-17)16-21(26(30)31)23(27)24(25)35-14-6-5-9-22(28)29/h2-4,7-8,10-13,16H,5-6,9,14-15,27H2,1H3,(H,28,29)(H,30,31)