ethyl 3-[[4-[[6,7-bis(chloranyl)-3-propan-2-yl-quinoxalin-2-yl]sulfonylmethyl]phenyl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[4-[[6,7-bis(chloranyl)-3-propan-2-yl-quinoxalin-2-yl]sulfonylmethyl]phenyl]carbonylamino]propanoate Openeye Name: ethyl 3-[[4-[(6,7-dichloro-3-isopropyl-quinoxalin-2-yl)sulfonylmethyl]benzoyl]amino]propanoate CAS Name: 3-[[[4-[(6,7-dichloro-3-propan-2-yl-2-quinoxalinyl)sulfonylmethyl]phenyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[(6,7-dichloro-3-propan-2-ylquinoxalin-2-yl)sulfonylmethyl]benzoyl]amino]propanoate Traditional Name: 3-[[4-[(6,7-dichloro-3-isopropyl-quinoxalin-2-yl)sulfonylmethyl]benzoyl]amino]propionic acid ethyl ester Formula: C24H25Cl2N3O5S MolecularWeight: 538.4434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)C1=CC=C(C=C1)CS(=O)(=O)C2=NC3=CC(=C(C=C3N=C2C(C)C)Cl)Cl

Isomeric SMILES

CCOC(=O)CCNC(=O)C1=CC=C(C=C1)CS(=O)(=O)C2=NC3=CC(=C(C=C3N=C2C(C)C)Cl)Cl

InChI

InChI=1S/C24H25Cl2N3O5S/c1-4-34-21(30)9-10-27-23(31)16-7-5-15(6-8-16)13-35(32,33)24-22(14(2)3)28-19-11-17(25)18(26)12-20(19)29-24/h5-8,11-12,14H,4,9-10,13H2,1-3H3,(H,27,31)