N-(cyanomethyl)-3-(phenylmethyl)sulfonyl-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]propanamide

Systemtic Name: N-(cyanomethyl)-3-(phenylmethyl)sulfonyl-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]propanamide Openeye Name: 3-benzylsulfonyl-N-(cyanomethyl)-2-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]propanamide CAS Name: N-(cyanomethyl)-2-[[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(cyanomethyl)-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]propanamide Traditional Name: 3-benzylsulfonyl-N-(cyanomethyl)-2-[[(E)-3-(3-pyridyl)acryloyl]amino]propionamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CC(C(=O)NCC#N)NC(=O)C=CC2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CC(C(=O)NCC#N)NC(=O)/C=C/C2=CN=CC=C2

InChI

InChI=1S/C20H20N4O4S/c21-10-12-23-20(26)18(15-29(27,28)14-17-5-2-1-3-6-17)24-19(25)9-8-16-7-4-11-22-13-16/h1-9,11,13,18H,12,14-15H2,(H,23,26)(H,24,25)/b9-8+