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

Systemtic Name: N-(cyanomethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfonylmethyl]-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 2-(benzylsulfonylmethyl)-N-(cyanomethyl)-3-[(2-methylthiazol-4-yl)methylsulfonyl]propanamide CAS Name: N-(cyanomethyl)-2-[(2-methyl-4-thiazolyl)methylsulfonylmethyl]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 2-(benzylsulfonylmethyl)-N-(cyanomethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide Traditional Name: 2-(benzylsulfonylmethyl)-N-(cyanomethyl)-3-[(2-methylthiazol-4-yl)methylsulfonyl]propionamide Formula: C18H21N3O5S3 MolecularWeight: 455.57144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S3/c1-14-21-17(9-27-14)13-29(25,26)12-16(18(22)20-8-7-19)11-28(23,24)10-15-5-3-2-4-6-15/h2-6,9,16H,8,10-13H2,1H3,(H,20,22)