7-tert-butylsulfonyl-4-oxidanylidene-N-(pyridin-4-ylmethyl)-3-(1,3-thiazol-4-ylmethyl)heptanamide

Systemtic Name: 7-tert-butylsulfonyl-4-oxidanylidene-N-(pyridin-4-ylmethyl)-3-(1,3-thiazol-4-ylmethyl)heptanamide Openeye Name: 7-tert-butylsulfonyl-4-oxo-N-(4-pyridylmethyl)-3-(thiazol-4-ylmethyl)heptanamide CAS Name: 7-tert-butylsulfonyl-4-oxo-N-(pyridin-4-ylmethyl)-3-(4-thiazolylmethyl)heptanamide IUPAC Name: 7-tert-butylsulfonyl-4-oxo-N-(pyridin-4-ylmethyl)-3-(1,3-thiazol-4-ylmethyl)heptanamide Traditional Name: 7-tert-butylsulfonyl-4-keto-N-(4-pyridylmethyl)-3-(thiazol-4-ylmethyl)enanthamide Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)CCCC(=O)C(CC1=CSC=N1)CC(=O)NCC2=CC=NC=C2

Isomeric SMILES

CC(C)(C)S(=O)(=O)CCCC(=O)C(CC1=CSC=N1)CC(=O)NCC2=CC=NC=C2

InChI

InChI=1S/C21H29N3O4S2/c1-21(2,3)30(27,28)10-4-5-19(25)17(11-18-14-29-15-24-18)12-20(26)23-13-16-6-8-22-9-7-16/h6-9,14-15,17H,4-5,10-13H2,1-3H3,(H,23,26)