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

Systemtic Name: ethyl 3-[4-[6,7-bis(chloranyl)-3-propan-2-yl-quinoxalin-2-yl]sulfonylbutoxycarbonylamino]propanoate Openeye Name: ethyl 3-[4-(6,7-dichloro-3-isopropyl-quinoxalin-2-yl)sulfonylbutoxycarbonylamino]propanoate CAS Name: 3-[[4-[(6,7-dichloro-3-propan-2-yl-2-quinoxalinyl)sulfonyl]butoxy-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(6,7-dichloro-3-propan-2-ylquinoxalin-2-yl)sulfonylbutoxycarbonylamino]propanoate Traditional Name: 3-[4-(6,7-dichloro-3-isopropyl-quinoxalin-2-yl)sulfonylbutoxycarbonylamino]propionic acid ethyl ester Formula: C21H27Cl2N3O6S MolecularWeight: 520.42658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)OCCCCS(=O)(=O)C1=NC2=CC(=C(C=C2N=C1C(C)C)Cl)Cl

Isomeric SMILES

CCOC(=O)CCNC(=O)OCCCCS(=O)(=O)C1=NC2=CC(=C(C=C2N=C1C(C)C)Cl)Cl

InChI

InChI=1S/C21H27Cl2N3O6S/c1-4-31-18(27)7-8-24-21(28)32-9-5-6-10-33(29,30)20-19(13(2)3)25-16-11-14(22)15(23)12-17(16)26-20/h11-13H,4-10H2,1-3H3,(H,24,28)