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

Systemtic Name: 2-azanyl-3-(4-ethoxy-4-oxidanylidene-butoxy)-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)benzoic acid Openeye Name: 2-amino-5-benzyl-3-(4-ethoxy-4-oxo-butoxy)-4-(4-methoxyphenyl)sulfonyl-benzoic acid CAS Name: 2-amino-3-(4-ethoxy-4-oxobutoxy)-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)benzoic acid IUPAC Name: 2-amino-5-benzyl-3-(4-ethoxy-4-oxobutoxy)-4-(4-methoxyphenyl)sulfonylbenzoic acid Traditional Name: 2-amino-5-benzyl-3-(4-ethoxy-4-keto-butoxy)-4-(4-methoxyphenyl)sulfonyl-benzoic acid Formula: C27H29NO8S MolecularWeight: 527.58606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=C(C(=CC(=C1S(=O)(=O)C2=CC=C(C=C2)OC)CC3=CC=CC=C3)C(=O)O)N

Isomeric SMILES

CCOC(=O)CCCOC1=C(C(=CC(=C1S(=O)(=O)C2=CC=C(C=C2)OC)CC3=CC=CC=C3)C(=O)O)N

InChI

InChI=1S/C27H29NO8S/c1-3-35-23(29)10-7-15-36-25-24(28)22(27(30)31)17-19(16-18-8-5-4-6-9-18)26(25)37(32,33)21-13-11-20(34-2)12-14-21/h4-6,8-9,11-14,17H,3,7,10,15-16,28H2,1-2H3,(H,30,31)