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

Systemtic Name: 2-[[4-[(4-butoxyphenyl)carbonylamino]phenyl]sulfonylamino]-6-morpholin-4-yl-hex-4-ynoic acid Openeye Name: 2-[[4-[(4-butoxybenzoyl)amino]phenyl]sulfonylamino]-6-morpholino-hex-4-ynoic acid CAS Name: 2-[[4-[[(4-butoxyphenyl)-oxomethyl]amino]phenyl]sulfonylamino]-6-(4-morpholinyl)-4-hexynoic acid IUPAC Name: 2-[[4-[(4-butoxybenzoyl)amino]phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoic acid Traditional Name: 2-[[4-[(4-butoxybenzoyl)amino]phenyl]sulfonylamino]-6-morpholino-hex-4-ynoic acid Formula: C27H33N3O7S MolecularWeight: 543.63182

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O7S/c1-2-3-18-37-23-11-7-21(8-12-23)26(31)28-22-9-13-24(14-10-22)38(34,35)29-25(27(32)33)6-4-5-15-30-16-19-36-20-17-30/h7-14,25,29H,2-3,6,15-20H2,1H3,(H,28,31)(H,32,33)