N,N-dimethyl-4-[(E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-4-[(E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]benzenesulfonamide Openeye Name: 4-[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]-N,N-dimethyl-benzenesulfonamide CAS Name: N,N-dimethyl-4-[(E)-1-oxo-3-[1-(phenylmethyl)-4-pyrazolyl]prop-2-enyl]benzenesulfonamide IUPAC Name: 4-[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 4-[(E)-3-(1-benzylpyrazol-4-yl)acryloyl]-N,N-dimethyl-benzenesulfonamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-23(2)28(26,27)20-11-9-19(10-12-20)21(25)13-8-18-14-22-24(16-18)15-17-6-4-3-5-7-17/h3-14,16H,15H2,1-2H3/b13-8+