3-tert-butyl-1-cyclopentyl-N-(2-hydroxyethyl)-N-(phenylmethyl)pyrazole-4-sulfonamide

Systemtic Name: 3-tert-butyl-1-cyclopentyl-N-(2-hydroxyethyl)-N-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: N-benzyl-3-tert-butyl-1-cyclopentyl-N-(2-hydroxyethyl)pyrazole-4-sulfonamide CAS Name: 3-tert-butyl-1-cyclopentyl-N-(2-hydroxyethyl)-N-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: N-benzyl-3-tert-butyl-1-cyclopentyl-N-(2-hydroxyethyl)pyrazole-4-sulfonamide Traditional Name: N-benzyl-3-tert-butyl-1-cyclopentyl-N-(2-hydroxyethyl)pyrazole-4-sulfonamide Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1S(=O)(=O)N(CCO)CC2=CC=CC=C2)C3CCCC3

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)N(CCO)CC2=CC=CC=C2)C3CCCC3

InChI

InChI=1S/C21H31N3O3S/c1-21(2,3)20-19(16-24(22-20)18-11-7-8-12-18)28(26,27)23(13-14-25)15-17-9-5-4-6-10-17/h4-6,9-10,16,18,25H,7-8,11-15H2,1-3H3