5-(4-chlorophenyl)sulfonyl-2-[(3-methoxyphenyl)carbonylamino]-2-phenoxy-pentanoic acid; quinoline

Systemtic Name: 5-(4-chlorophenyl)sulfonyl-2-[(3-methoxyphenyl)carbonylamino]-2-phenoxy-pentanoic acid; quinoline Openeye Name: 5-(4-chlorophenyl)sulfonyl-2-[(3-methoxybenzoyl)amino]-2-phenoxy-pentanoic acid; quinoline CAS Name: 5-(4-chlorophenyl)sulfonyl-2-[[(3-methoxyphenyl)-oxomethyl]amino]-2-phenoxypentanoic acid; quinoline IUPAC Name: 5-(4-chlorophenyl)sulfonyl-2-[(3-methoxybenzoyl)amino]-2-phenoxypentanoic acid; quinoline Traditional Name: 5-(4-chlorophenyl)sulfonyl-2-(m-anisoylamino)-2-phenoxy-valeric acid; quinoline Formula: C34H31ClN2O7S MolecularWeight: 647.13714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC(CCCS(=O)(=O)C2=CC=C(C=C2)Cl)(C(=O)O)OC3=CC=CC=C3.C1=CC=C2C(=C1)C=CC=N2

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC(CCCS(=O)(=O)C2=CC=C(C=C2)Cl)(C(=O)O)OC3=CC=CC=C3.C1=CC=C2C(=C1)C=CC=N2

InChI

InChI=1S/C25H24ClNO7S.C9H7N/c1-33-21-10-5-7-18(17-21)23(28)27-25(24(29)30,34-20-8-3-2-4-9-20)15-6-16-35(31,32)22-13-11-19(26)12-14-22;1-2-6-9-8(4-1)5-3-7-10-9/h2-5,7-14,17H,6,15-16H2,1H3,(H,27,28)(H,29,30);1-7H