N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-3-(2-phenylethenylsulfonyl)propanamide

Systemtic Name: N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-3-(2-phenylethenylsulfonyl)propanamide Openeye Name: N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-3-styrylsulfonyl-propanamide CAS Name: N-[1-[(3-cyanophenyl)methyl]-4-pyrazolyl]-3-(2-phenylethenylsulfonyl)propanamide IUPAC Name: N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-3-(2-phenylethenylsulfonyl)propanamide Traditional Name: N-[1-(3-cyanobenzyl)pyrazol-4-yl]-3-styrylsulfonyl-propionamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CS(=O)(=O)CCC(=O)NC2=CN(N=C2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C=CS(=O)(=O)CCC(=O)NC2=CN(N=C2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H20N4O3S/c23-14-19-7-4-8-20(13-19)16-26-17-21(15-24-26)25-22(27)10-12-30(28,29)11-9-18-5-2-1-3-6-18/h1-9,11,13,15,17H,10,12,16H2,(H,25,27)