3-azanyl-4,4-bis[2-(phenylsulfonyl)ethyl]-1H-pyrazol-5-one

Systemtic Name: 3-azanyl-4,4-bis[2-(phenylsulfonyl)ethyl]-1H-pyrazol-5-one Openeye Name: 3-amino-4,4-bis[2-(benzenesulfonyl)ethyl]-1H-pyrazol-5-one CAS Name: 3-amino-4,4-bis[2-(benzenesulfonyl)ethyl]-1H-pyrazol-5-one IUPAC Name: 3-amino-4,4-bis[2-(benzenesulfonyl)ethyl]-1H-pyrazol-5-one Traditional Name: 5-amino-4,4-bis(2-besylethyl)-2-pyrazolin-3-one Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCC2(C(=NNC2=O)N)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCC2(C(=NNC2=O)N)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O5S2/c20-17-19(18(23)22-21-17,11-13-28(24,25)15-7-3-1-4-8-15)12-14-29(26,27)16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,20,21)(H,22,23)