2-[[4-[(4-methoxyphenyl)carbonylamino]phenyl]sulfonylamino]-5-morpholin-4-yl-pent-3-ynoic acid

Systemtic Name: 2-[[4-[(4-methoxyphenyl)carbonylamino]phenyl]sulfonylamino]-5-morpholin-4-yl-pent-3-ynoic acid Openeye Name: 2-[[4-[(4-methoxybenzoyl)amino]phenyl]sulfonylamino]-5-morpholino-pent-3-ynoic acid CAS Name: 2-[[4-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]sulfonylamino]-5-(4-morpholinyl)-3-pentynoic acid IUPAC Name: 2-[[4-[(4-methoxybenzoyl)amino]phenyl]sulfonylamino]-5-morpholin-4-ylpent-3-ynoic acid Traditional Name: 5-morpholino-2-[[4-(p-anisoylamino)phenyl]sulfonylamino]pent-3-ynoic acid Formula: C23H25N3O7S MolecularWeight: 487.5255

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(C#CCN3CCOCC3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(C#CCN3CCOCC3)C(=O)O

InChI

InChI=1S/C23H25N3O7S/c1-32-19-8-4-17(5-9-19)22(27)24-18-6-10-20(11-7-18)34(30,31)25-21(23(28)29)3-2-12-26-13-15-33-16-14-26/h4-11,21,25H,12-16H2,1H3,(H,24,27)(H,28,29)