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

Systemtic Name: methyl 2-[[4-[(4-bromophenyl)carbonylamino]phenyl]sulfonylamino]-6-morpholin-4-yl-hex-4-ynoate Openeye Name: methyl 2-[[4-[(4-bromobenzoyl)amino]phenyl]sulfonylamino]-6-morpholino-hex-4-ynoate CAS Name: 2-[[4-[[(4-bromophenyl)-oxomethyl]amino]phenyl]sulfonylamino]-6-(4-morpholinyl)-4-hexynoic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-bromobenzoyl)amino]phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoate Traditional Name: 2-[[4-[(4-bromobenzoyl)amino]phenyl]sulfonylamino]-6-morpholino-hex-4-ynoic acid methyl ester Formula: C24H26BrN3O6S MolecularWeight: 564.44874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#CCN1CCOCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C(CC#CCN1CCOCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C24H26BrN3O6S/c1-33-24(30)22(4-2-3-13-28-14-16-34-17-15-28)27-35(31,32)21-11-9-20(10-12-21)26-23(29)18-5-7-19(25)8-6-18/h5-12,22,27H,4,13-17H2,1H3,(H,26,29)