(E)-2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)-3-(1,2,3-thiadiazol-4-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)-3-(1,2,3-thiadiazol-4-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-[3-(1-piperidylsulfonyl)phenyl]-3-(thiadiazol-4-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-[3-(1-piperidinylsulfonyl)phenyl]-3-(4-thiadiazolyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(3-piperidin-1-ylsulfonylphenyl)-3-(thiadiazol-4-yl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-piperidinosulfonylphenyl)-3-(thiadiazol-4-yl)acrylamide Formula: C17H17N5O3S2 MolecularWeight: 403.47858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C(=CC3=CSN=N3)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)/C(=C/C3=CSN=N3)/C#N

InChI

InChI=1S/C17H17N5O3S2/c18-11-13(9-15-12-26-21-20-15)17(23)19-14-5-4-6-16(10-14)27(24,25)22-7-2-1-3-8-22/h4-6,9-10,12H,1-3,7-8H2,(H,19,23)/b13-9+