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

Systemtic Name: 2-azanyl-4-(4-methoxyphenyl)sulfonyl-3-(4-oxidanyl-4-oxidanylidene-butoxy)-5-(phenylmethyl)benzoic acid Openeye Name: 2-amino-5-benzyl-3-(4-hydroxy-4-oxo-butoxy)-4-(4-methoxyphenyl)sulfonyl-benzoic acid CAS Name: 2-amino-3-(4-hydroxy-4-oxobutoxy)-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)benzoic acid IUPAC Name: 2-amino-5-benzyl-3-(4-hydroxy-4-oxobutoxy)-4-(4-methoxyphenyl)sulfonylbenzoic acid Traditional Name: 2-amino-5-benzyl-3-(4-hydroxy-4-keto-butoxy)-4-(4-methoxyphenyl)sulfonyl-benzoic acid Formula: C25H25NO8S MolecularWeight: 499.5329

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2OCCCC(=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(=C2OCCCC(=O)O)N)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C25H25NO8S/c1-33-18-9-11-19(12-10-18)35(31,32)24-17(14-16-6-3-2-4-7-16)15-20(25(29)30)22(26)23(24)34-13-5-8-21(27)28/h2-4,6-7,9-12,15H,5,8,13-14,26H2,1H3,(H,27,28)(H,29,30)