1-(3,5-dimethyl-1-naphthalen-2-ylsulfonyl-pyrazol-4-yl)sulfonylazepane

Systemtic Name: 1-(3,5-dimethyl-1-naphthalen-2-ylsulfonyl-pyrazol-4-yl)sulfonylazepane Openeye Name: 1-[3,5-dimethyl-1-(2-naphthylsulfonyl)pyrazol-4-yl]sulfonylazepane CAS Name: 1-[[3,5-dimethyl-1-(2-naphthalenylsulfonyl)-4-pyrazolyl]sulfonyl]azepane IUPAC Name: 1-(3,5-dimethyl-1-naphthalen-2-ylsulfonylpyrazol-4-yl)sulfonylazepane Traditional Name: 1-[3,5-dimethyl-1-(2-naphthylsulfonyl)pyrazol-4-yl]sulfonylazepane Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H25N3O4S2/c1-16-21(30(27,28)23-13-7-3-4-8-14-23)17(2)24(22-16)29(25,26)20-12-11-18-9-5-6-10-19(18)15-20/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3