N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-5-chloranyl-1,3-dimethyl-pyrazole-4-sulfonamide

Systemtic Name: N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-5-chloranyl-1,3-dimethyl-pyrazole-4-sulfonamide Openeye Name: 5-chloro-N-[2-(3,4-dibenzyloxyphenyl)ethyl]-1,3-dimethyl-pyrazole-4-sulfonamide CAS Name: N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-5-chloro-1,3-dimethyl-4-pyrazolesulfonamide IUPAC Name: N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide Traditional Name: 5-chloro-N-[2-(3,4-dibenzoxyphenyl)ethyl]-1,3-dimethyl-pyrazole-4-sulfonamide Formula: C27H28ClN3O4S MolecularWeight: 526.04692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)NCCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)NCCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)Cl)C

InChI

InChI=1S/C27H28ClN3O4S/c1-20-26(27(28)31(2)30-20)36(32,33)29-16-15-21-13-14-24(34-18-22-9-5-3-6-10-22)25(17-21)35-19-23-11-7-4-8-12-23/h3-14,17,29H,15-16,18-19H2,1-2H3