2-azanyl-4-(4-methoxyphenyl)sulfonyl-3-(3-oxidanylpropoxy)-5-(phenylmethyl)benzoic acid

Systemtic Name: 2-azanyl-4-(4-methoxyphenyl)sulfonyl-3-(3-oxidanylpropoxy)-5-(phenylmethyl)benzoic acid Openeye Name: 2-amino-5-benzyl-3-(3-hydroxypropoxy)-4-(4-methoxyphenyl)sulfonyl-benzoic acid CAS Name: 2-amino-3-(3-hydroxypropoxy)-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)benzoic acid IUPAC Name: 2-amino-5-benzyl-3-(3-hydroxypropoxy)-4-(4-methoxyphenyl)sulfonylbenzoic acid Traditional Name: 2-amino-5-benzyl-3-(3-hydroxypropoxy)-4-(4-methoxyphenyl)sulfonyl-benzoic acid Formula: C24H25NO7S MolecularWeight: 471.5228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2OCCCO)N)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2OCCCO)N)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C24H25NO7S/c1-31-18-8-10-19(11-9-18)33(29,30)23-17(14-16-6-3-2-4-7-16)15-20(24(27)28)21(25)22(23)32-13-5-12-26/h2-4,6-11,15,26H,5,12-14,25H2,1H3,(H,27,28)