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

Systemtic Name: 5-(4-bromophenyl)sulfonyl-2-[(4-methoxyphenyl)carbonylamino]-2-phenoxy-pentanoic acid; quinoline Openeye Name: 5-(4-bromophenyl)sulfonyl-2-[(4-methoxybenzoyl)amino]-2-phenoxy-pentanoic acid; quinoline CAS Name: 5-(4-bromophenyl)sulfonyl-2-[[(4-methoxyphenyl)-oxomethyl]amino]-2-phenoxypentanoic acid; quinoline IUPAC Name: 5-(4-bromophenyl)sulfonyl-2-[(4-methoxybenzoyl)amino]-2-phenoxypentanoic acid; quinoline Traditional Name: 5-brosyl-2-(p-anisoylamino)-2-phenoxy-valeric acid; quinoline Formula: C34H31BrN2O7S MolecularWeight: 691.58814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrNO7S.C9H7N/c1-33-20-12-8-18(9-13-20)23(28)27-25(24(29)30,34-21-6-3-2-4-7-21)16-5-17-35(31,32)22-14-10-19(26)11-15-22;1-2-6-9-8(4-1)5-3-7-10-9/h2-4,6-15H,5,16-17H2,1H3,(H,27,28)(H,29,30);1-7H