tert-butyl 2-[[7-cyano-4-[(3-methylimidazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-(1-methylimidazol-4-yl)sulfonyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[7-cyano-4-[(3-methylimidazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-(1-methylimidazol-4-yl)sulfonyl-amino]ethanoate Openeye Name: tert-butyl 2-[[7-cyano-4-[(3-methylimidazol-4-yl)methyl]tetralin-2-yl]-(1-methylimidazol-4-yl)sulfonyl-amino]acetate CAS Name: 2-[[7-cyano-4-[(3-methyl-4-imidazolyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-[(1-methyl-4-imidazolyl)sulfonyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[7-cyano-4-[(3-methylimidazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-(1-methylimidazol-4-yl)sulfonylamino]acetate Traditional Name: 2-[[7-cyano-4-[(3-methylimidazol-4-yl)methyl]tetralin-2-yl]-(1-methylimidazol-4-yl)sulfonyl-amino]acetic acid tert-butyl ester Formula: C26H32N6O4S MolecularWeight: 524.63508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C1CC(C2=C(C1)C=C(C=C2)C#N)CC3=CN=CN3C)S(=O)(=O)C4=CN(C=N4)C

Isomeric SMILES

CC(C)(C)OC(=O)CN(C1CC(C2=C(C1)C=C(C=C2)C#N)CC3=CN=CN3C)S(=O)(=O)C4=CN(C=N4)C

InChI

InChI=1S/C26H32N6O4S/c1-26(2,3)36-25(33)15-32(37(34,35)24-14-30(4)17-29-24)21-9-19-8-18(12-27)6-7-23(19)20(10-21)11-22-13-28-16-31(22)5/h6-8,13-14,16-17,20-21H,9-11,15H2,1-5H3