N-[4-[3-(4-methylphenyl)-2-propylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide

Systemtic Name: N-[4-[3-(4-methylphenyl)-2-propylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide Openeye Name: N-[4-[2-propylsulfonyl-3-(p-tolyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide CAS Name: N-[4-[3-(4-methylphenyl)-2-propylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide IUPAC Name: N-[4-[3-(4-methylphenyl)-2-propylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide Traditional Name: N-[4-[1-propylsulfonyl-5-(p-tolyl)-2-pyrazolin-3-yl]phenyl]ethanesulfonamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1C(CC(=N1)C2=CC=C(C=C2)NS(=O)(=O)CC)C3=CC=C(C=C3)C

Isomeric SMILES

CCCS(=O)(=O)N1C(CC(=N1)C2=CC=C(C=C2)NS(=O)(=O)CC)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H27N3O4S2/c1-4-14-30(27,28)24-21(18-8-6-16(3)7-9-18)15-20(22-24)17-10-12-19(13-11-17)23-29(25,26)5-2/h6-13,21,23H,4-5,14-15H2,1-3H3