tert-butyl 2-[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-pyridin-3-ylsulfonyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-pyridin-3-ylsulfonyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-(3-pyridylsulfonyl)amino]acetate CAS Name: 2-[[6-cyano-1-[(3-methyl-4-imidazolyl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-(3-pyridinylsulfonyl)amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-pyridin-3-ylsulfonylamino]acetate Traditional Name: 2-[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-(3-pyridylsulfonyl)amino]acetic acid tert-butyl ester Formula: C26H30N6O4S MolecularWeight: 522.6192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C1CC2=C(C=CC(=C2)C#N)N(C1)CC3=CN=CN3C)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CN(C1CC2=C(C=CC(=C2)C#N)N(C1)CC3=CN=CN3C)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C26H30N6O4S/c1-26(2,3)36-25(33)17-32(37(34,35)23-6-5-9-28-14-23)21-11-20-10-19(12-27)7-8-24(20)31(15-21)16-22-13-29-18-30(22)4/h5-10,13-14,18,21H,11,15-17H2,1-4H3