N-cyclohexyl-N-(2-hydroxyethyl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-sulfonamide

Systemtic Name: N-cyclohexyl-N-(2-hydroxyethyl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-sulfonamide Openeye Name: 1-benzyl-N-cyclohexyl-N-(2-hydroxyethyl)-3-(2-thienyl)pyrazole-4-sulfonamide CAS Name: N-cyclohexyl-N-(2-hydroxyethyl)-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-N-cyclohexyl-N-(2-hydroxyethyl)-3-thiophen-2-ylpyrazole-4-sulfonamide Traditional Name: 1-benzyl-N-cyclohexyl-N-(2-hydroxyethyl)-3-(2-thienyl)pyrazole-4-sulfonamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CCO)S(=O)(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N(CCO)S(=O)(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S2/c26-14-13-25(19-10-5-2-6-11-19)30(27,28)21-17-24(16-18-8-3-1-4-9-18)23-22(21)20-12-7-15-29-20/h1,3-4,7-9,12,15,17,19,26H,2,5-6,10-11,13-14,16H2