ethyl 5-(4-hydroxyphenyl)sulfonyl-2-[(3-methoxyphenyl)carbonylamino]-2-phenoxy-pentanoate

Systemtic Name: ethyl 5-(4-hydroxyphenyl)sulfonyl-2-[(3-methoxyphenyl)carbonylamino]-2-phenoxy-pentanoate Openeye Name: ethyl 5-(4-hydroxyphenyl)sulfonyl-2-[(3-methoxybenzoyl)amino]-2-phenoxy-pentanoate CAS Name: 5-(4-hydroxyphenyl)sulfonyl-2-[[(3-methoxyphenyl)-oxomethyl]amino]-2-phenoxypentanoic acid ethyl ester IUPAC Name: ethyl 5-(4-hydroxyphenyl)sulfonyl-2-[(3-methoxybenzoyl)amino]-2-phenoxypentanoate Traditional Name: 5-(4-hydroxyphenyl)sulfonyl-2-(m-anisoylamino)-2-phenoxy-valeric acid ethyl ester Formula: C27H29NO8S MolecularWeight: 527.58606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCS(=O)(=O)C1=CC=C(C=C1)O)(NC(=O)C2=CC(=CC=C2)OC)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CCCS(=O)(=O)C1=CC=C(C=C1)O)(NC(=O)C2=CC(=CC=C2)OC)OC3=CC=CC=C3

InChI

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