1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(furan-2-ylmethyl)-N,3,5-trimethyl-pyrazole-4-sulfonamide

Systemtic Name: 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(furan-2-ylmethyl)-N,3,5-trimethyl-pyrazole-4-sulfonamide Openeye Name: 1-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(2-furylmethyl)-N,3,5-trimethyl-pyrazole-4-sulfonamide CAS Name: 1-[2-(1-azepanyl)-2-oxoethyl]-N-(2-furanylmethyl)-N,3,5-trimethyl-4-pyrazolesulfonamide IUPAC Name: 1-[2-(azepan-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)-N,3,5-trimethylpyrazole-4-sulfonamide Traditional Name: 1-[2-(azepan-1-yl)-2-keto-ethyl]-N-(2-furfuryl)-N,3,5-trimethyl-pyrazole-4-sulfonamide Formula: C19H28N4O4S MolecularWeight: 408.51502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCCCCC2)C)S(=O)(=O)N(C)CC3=CC=CO3

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCCCCC2)C)S(=O)(=O)N(C)CC3=CC=CO3

InChI

InChI=1S/C19H28N4O4S/c1-15-19(28(25,26)21(3)13-17-9-8-12-27-17)16(2)23(20-15)14-18(24)22-10-6-4-5-7-11-22/h8-9,12H,4-7,10-11,13-14H2,1-3H3