N-(cyanomethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfonylmethyl]-2-(phenylmethyl)-3-sulfonyl-propanamide

Systemtic Name: N-(cyanomethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfonylmethyl]-2-(phenylmethyl)-3-sulfonyl-propanamide Openeye Name: 2-benzyl-N-(cyanomethyl)-2-[(2-methylthiazol-4-yl)methylsulfonylmethyl]-3-sulfonyl-propanamide CAS Name: N-(cyanomethyl)-2-[(2-methyl-4-thiazolyl)methylsulfonylmethyl]-2-(phenylmethyl)-3-sulfonylpropanamide IUPAC Name: 2-benzyl-N-(cyanomethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfonylmethyl]-3-sulfonylpropanamide Traditional Name: 2-benzyl-N-(cyanomethyl)-2-[(2-methylthiazol-4-yl)methylsulfonylmethyl]-3-sulfonyl-propionamide Formula: C18H19N3O5S3 MolecularWeight: 453.55556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CS(=O)(=O)CC(CC2=CC=CC=C2)(C=S(=O)=O)C(=O)NCC#N

Isomeric SMILES

CC1=NC(=CS1)CS(=O)(=O)CC(CC2=CC=CC=C2)(C=S(=O)=O)C(=O)NCC#N

InChI

InChI=1S/C18H19N3O5S3/c1-14-21-16(10-27-14)11-29(25,26)13-18(12-28(23)24,17(22)20-8-7-19)9-15-5-3-2-4-6-15/h2-6,10,12H,8-9,11,13H2,1H3,(H,20,22)