3-tert-butyl-N-[2-(3-methoxyphenyl)ethyl]-1-(phenylmethyl)pyrazole-4-sulfonamide

Systemtic Name: 3-tert-butyl-N-[2-(3-methoxyphenyl)ethyl]-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: 1-benzyl-3-tert-butyl-N-[2-(3-methoxyphenyl)ethyl]pyrazole-4-sulfonamide CAS Name: 3-tert-butyl-N-[2-(3-methoxyphenyl)ethyl]-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-3-tert-butyl-N-[2-(3-methoxyphenyl)ethyl]pyrazole-4-sulfonamide Traditional Name: 1-benzyl-3-tert-butyl-N-[2-(3-methoxyphenyl)ethyl]pyrazole-4-sulfonamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1S(=O)(=O)NCCC2=CC(=CC=C2)OC)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)NCCC2=CC(=CC=C2)OC)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3S/c1-23(2,3)22-21(17-26(25-22)16-19-9-6-5-7-10-19)30(27,28)24-14-13-18-11-8-12-20(15-18)29-4/h5-12,15,17,24H,13-14,16H2,1-4H3