3-azanyl-4-[1-phenyl-2-(phenylsulfonyl)ethyl]-1,4-dihydropyrazol-5-one

Systemtic Name: 3-azanyl-4-[1-phenyl-2-(phenylsulfonyl)ethyl]-1,4-dihydropyrazol-5-one Openeye Name: 3-amino-4-[2-(benzenesulfonyl)-1-phenyl-ethyl]-1,4-dihydropyrazol-5-one CAS Name: 3-amino-4-[2-(benzenesulfonyl)-1-phenylethyl]-1,4-dihydropyrazol-5-one IUPAC Name: 3-amino-4-[2-(benzenesulfonyl)-1-phenylethyl]-1,4-dihydropyrazol-5-one Traditional Name: 5-amino-4-(2-besyl-1-phenyl-ethyl)-2-pyrazolin-3-one Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CS(=O)(=O)C2=CC=CC=C2)C3C(=NNC3=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(CS(=O)(=O)C2=CC=CC=C2)C3C(=NNC3=O)N

InChI

InChI=1S/C17H17N3O3S/c18-16-15(17(21)20-19-16)14(12-7-3-1-4-8-12)11-24(22,23)13-9-5-2-6-10-13/h1-10,14-15H,11H2,(H2,18,19)(H,20,21)