N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-propan-2-yl-3-thiophen-2-yl-pyrazole-4-sulfonamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-propan-2-yl-3-thiophen-2-yl-pyrazole-4-sulfonamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-isopropyl-3-(2-thienyl)pyrazole-4-sulfonamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-propan-2-yl-3-thiophen-2-yl-4-pyrazolesulfonamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-isopropyl-3-(2-thienyl)pyrazole-4-sulfonamide Formula: C19H20N4O3S3 MolecularWeight: 448.5821

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CN(N=C3C4=CC=CS4)C(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CN(N=C3C4=CC=CS4)C(C)C

InChI

InChI=1S/C19H20N4O3S3/c1-4-26-13-7-8-14-16(10-13)28-19(20-14)22-29(24,25)17-11-23(12(2)3)21-18(17)15-6-5-9-27-15/h5-12H,4H2,1-3H3,(H,20,22)