2-[[4-[(4-methoxyphenyl)carbonylamino]phenyl]sulfonylamino]-6-morpholin-4-yl-hex-4-ynoic acid

Systemtic Name: 2-[[4-[(4-methoxyphenyl)carbonylamino]phenyl]sulfonylamino]-6-morpholin-4-yl-hex-4-ynoic acid Openeye Name: 2-[[4-[(4-methoxybenzoyl)amino]phenyl]sulfonylamino]-6-morpholino-hex-4-ynoic acid CAS Name: 2-[[4-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]sulfonylamino]-6-(4-morpholinyl)-4-hexynoic acid IUPAC Name: 2-[[4-[(4-methoxybenzoyl)amino]phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoic acid Traditional Name: 6-morpholino-2-[[4-(p-anisoylamino)phenyl]sulfonylamino]hex-4-ynoic acid Formula: C24H27N3O7S MolecularWeight: 501.55208

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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(CC#CCN3CCOCC3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O7S/c1-33-20-9-5-18(6-10-20)23(28)25-19-7-11-21(12-8-19)35(31,32)26-22(24(29)30)4-2-3-13-27-14-16-34-17-15-27/h5-12,22,26H,4,13-17H2,1H3,(H,25,28)(H,29,30)