N-[3-[2-(phenylsulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide

Systemtic Name: N-[3-[2-(phenylsulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide Openeye Name: N-[3-[2-(benzenesulfonyl)-3-(2-thienyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide CAS Name: N-[3-[2-(benzenesulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide IUPAC Name: N-[3-[2-(benzenesulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide Traditional Name: N-[3-[1-besyl-5-(2-thienyl)-2-pyrazolin-3-yl]phenyl]ethanesulfonamide Formula: C21H21N3O4S3 MolecularWeight: 475.60414

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)NC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4S3/c1-2-30(25,26)23-17-9-6-8-16(14-17)19-15-20(21-12-7-13-29-21)24(22-19)31(27,28)18-10-4-3-5-11-18/h3-14,20,23H,2,15H2,1H3