methyl 2-[[4-[(4-butoxyphenyl)carbonylamino]phenyl]sulfonylamino]-6-morpholin-4-yl-hex-4-ynoate

Systemtic Name: methyl 2-[[4-[(4-butoxyphenyl)carbonylamino]phenyl]sulfonylamino]-6-morpholin-4-yl-hex-4-ynoate Openeye Name: methyl 2-[[4-[(4-butoxybenzoyl)amino]phenyl]sulfonylamino]-6-morpholino-hex-4-ynoate CAS Name: 2-[[4-[[(4-butoxyphenyl)-oxomethyl]amino]phenyl]sulfonylamino]-6-(4-morpholinyl)-4-hexynoic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-butoxybenzoyl)amino]phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoate Traditional Name: 2-[[4-[(4-butoxybenzoyl)amino]phenyl]sulfonylamino]-6-morpholino-hex-4-ynoic acid methyl ester Formula: C28H35N3O7S MolecularWeight: 557.6584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CC#CCN3CCOCC3)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CC#CCN3CCOCC3)C(=O)OC

InChI

InChI=1S/C28H35N3O7S/c1-3-4-19-38-24-12-8-22(9-13-24)27(32)29-23-10-14-25(15-11-23)39(34,35)30-26(28(33)36-2)7-5-6-16-31-17-20-37-21-18-31/h8-15,26,30H,3-4,7,16-21H2,1-2H3,(H,29,32)