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

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-phenyl-1-propan-2-yl-pyrazole-4-sulfonamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-isopropyl-3-phenyl-pyrazole-4-sulfonamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-phenyl-1-propan-2-yl-4-pyrazolesulfonamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-isopropyl-3-phenyl-pyrazole-4-sulfonamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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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=CC=C4)C(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CN(N=C3C4=CC=CC=C4)C(C)C

InChI

InChI=1S/C21H22N4O3S2/c1-4-28-16-10-11-17-18(12-16)29-21(22-17)24-30(26,27)19-13-25(14(2)3)23-20(19)15-8-6-5-7-9-15/h5-14H,4H2,1-3H3,(H,22,24)