methyl 6-methoxy-2-[[4-(morpholin-4-ylcarbonylamino)phenyl]sulfonylamino]hex-4-ynoate

Systemtic Name: methyl 6-methoxy-2-[[4-(morpholin-4-ylcarbonylamino)phenyl]sulfonylamino]hex-4-ynoate Openeye Name: methyl 6-methoxy-2-[[4-(morpholine-4-carbonylamino)phenyl]sulfonylamino]hex-4-ynoate CAS Name: 6-methoxy-2-[[4-[[4-morpholinyl(oxo)methyl]amino]phenyl]sulfonylamino]-4-hexynoic acid methyl ester IUPAC Name: methyl 6-methoxy-2-[[4-(morpholine-4-carbonylamino)phenyl]sulfonylamino]hex-4-ynoate Traditional Name: 6-methoxy-2-[[4-(morpholine-4-carbonylamino)phenyl]sulfonylamino]hex-4-ynoic acid methyl ester Formula: C19H25N3O7S MolecularWeight: 439.4827

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CCC(C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)N2CCOCC2

Isomeric SMILES

COCC#CCC(C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)N2CCOCC2

InChI

InChI=1S/C19H25N3O7S/c1-27-12-4-3-5-17(18(23)28-2)21-30(25,26)16-8-6-15(7-9-16)20-19(24)22-10-13-29-14-11-22/h6-9,17,21H,5,10-14H2,1-2H3,(H,20,24)