5-chloranyl-1,3-dimethyl-N-[(2-oxidanylcycloheptyl)methyl]-N-(phenylmethyl)pyrazole-4-sulfonamide

Systemtic Name: 5-chloranyl-1,3-dimethyl-N-[(2-oxidanylcycloheptyl)methyl]-N-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: N-benzyl-5-chloro-N-[(2-hydroxycycloheptyl)methyl]-1,3-dimethyl-pyrazole-4-sulfonamide CAS Name: 5-chloro-N-[(2-hydroxycycloheptyl)methyl]-1,3-dimethyl-N-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: N-benzyl-5-chloro-N-[(2-hydroxycycloheptyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide Traditional Name: N-benzyl-5-chloro-N-[(2-hydroxycycloheptyl)methyl]-1,3-dimethyl-pyrazole-4-sulfonamide Formula: C20H28ClN3O3S MolecularWeight: 425.97262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)N(CC2CCCCCC2O)CC3=CC=CC=C3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)N(CC2CCCCCC2O)CC3=CC=CC=C3)Cl)C

InChI

InChI=1S/C20H28ClN3O3S/c1-15-19(20(21)23(2)22-15)28(26,27)24(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-18(17)25/h3,5-6,9-10,17-18,25H,4,7-8,11-14H2,1-2H3