N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-2-oxidanylidene-chromene-6-sulfonamide

Systemtic Name: N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-2-oxidanylidene-chromene-6-sulfonamide Openeye Name: N-[1-[5-methyl-1-(p-tolyl)pyrazol-4-yl]ethyl]-2-oxo-chromene-6-sulfonamide CAS Name: N-[1-[5-methyl-1-(4-methylphenyl)-4-pyrazolyl]ethyl]-2-oxo-1-benzopyran-6-sulfonamide IUPAC Name: N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-2-oxochromene-6-sulfonamide Traditional Name: 2-keto-N-[1-[5-methyl-1-(p-tolyl)pyrazol-4-yl]ethyl]chromene-6-sulfonamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(C)NS(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(C)NS(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4)C

InChI

InChI=1S/C22H21N3O4S/c1-14-4-7-18(8-5-14)25-16(3)20(13-23-25)15(2)24-30(27,28)19-9-10-21-17(12-19)6-11-22(26)29-21/h4-13,15,24H,1-3H3