N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-1-(phenylmethyl)pyrazole-4-sulfonamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: 1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-pyrazole-4-sulfonamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpyrazole-4-sulfonamide Traditional Name: 1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-pyrazole-4-sulfonamide Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CN(N=C3C)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CN(N=C3C)CC4=CC=CC=C4

InChI

InChI=1S/C20H20N4O3S2/c1-3-27-16-9-10-17-18(11-16)28-20(21-17)23-29(25,26)19-13-24(22-14(19)2)12-15-7-5-4-6-8-15/h4-11,13H,3,12H2,1-2H3,(H,21,23)