1-[3,5-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrazol-4-yl]sulfonylazepane

Systemtic Name: 1-[3,5-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrazol-4-yl]sulfonylazepane Openeye Name: 1-(3,5-dimethyl-1-tetralin-6-ylsulfonyl-pyrazol-4-yl)sulfonylazepane CAS Name: 1-[[3,5-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4-pyrazolyl]sulfonyl]azepane IUPAC Name: 1-[3,5-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrazol-4-yl]sulfonylazepane Traditional Name: 1-(3,5-dimethyl-1-tetralin-6-ylsulfonyl-pyrazol-4-yl)sulfonylazepane Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=CC3=C(CCCC3)C=C2)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=CC3=C(CCCC3)C=C2)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H29N3O4S2/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/h11-12,15H,3-10,13-14H2,1-2H3