N-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-phenyl-pyrazol-3-yl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-phenyl-pyrazol-3-yl]-4-methoxy-benzenesulfonamide Openeye Name: N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-pyrazol-3-yl]-4-methoxy-benzenesulfonamide CAS Name: N-[2-[(3S)-1,1-dioxo-3-thiolanyl]-5-phenyl-3-pyrazolyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-phenylpyrazol-3-yl]-4-methoxybenzenesulfonamide Traditional Name: N-[2-[(3S)-1,1-diketothiolan-3-yl]-5-phenyl-pyrazol-3-yl]-4-methoxy-benzenesulfonamide Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NN2[C@H]3CCS(=O)(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O5S2/c1-28-17-7-9-18(10-8-17)30(26,27)22-20-13-19(15-5-3-2-4-6-15)21-23(20)16-11-12-29(24,25)14-16/h2-10,13,16,22H,11-12,14H2,1H3/t16-/m0/s1