N-(4-methyl-1,3-benzothiazol-2-yl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-sulfonamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-sulfonamide Openeye Name: 1-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-(2-thienyl)pyrazole-4-sulfonamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide Traditional Name: 1-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-(2-thienyl)pyrazole-4-sulfonamide Formula: C22H18N4O2S3 MolecularWeight: 466.59892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NS(=O)(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NS(=O)(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C22H18N4O2S3/c1-15-7-5-10-18-20(15)23-22(30-18)25-31(27,28)19-14-26(13-16-8-3-2-4-9-16)24-21(19)17-11-6-12-29-17/h2-12,14H,13H2,1H3,(H,23,25)