ethyl 5-(4-bromophenyl)sulfonyl-2-[(3-methoxyphenyl)carbonylamino]-2-phenoxy-pentanoate; quinoline

Systemtic Name: ethyl 5-(4-bromophenyl)sulfonyl-2-[(3-methoxyphenyl)carbonylamino]-2-phenoxy-pentanoate; quinoline Openeye Name: ethyl 5-(4-bromophenyl)sulfonyl-2-[(3-methoxybenzoyl)amino]-2-phenoxy-pentanoate; quinoline CAS Name: 5-(4-bromophenyl)sulfonyl-2-[[(3-methoxyphenyl)-oxomethyl]amino]-2-phenoxypentanoic acid ethyl ester; quinoline IUPAC Name: ethyl 5-(4-bromophenyl)sulfonyl-2-[(3-methoxybenzoyl)amino]-2-phenoxypentanoate; quinoline Traditional Name: 5-brosyl-2-(m-anisoylamino)-2-phenoxy-valeric acid ethyl ester; quinoline Formula: C36H35BrN2O7S MolecularWeight: 719.6413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28BrNO7S.C9H7N/c1-3-35-26(31)27(36-22-10-5-4-6-11-22,29-25(30)20-9-7-12-23(19-20)34-2)17-8-18-37(32,33)24-15-13-21(28)14-16-24;1-2-6-9-8(4-1)5-3-7-10-9/h4-7,9-16,19H,3,8,17-18H2,1-2H3,(H,29,30);1-7H