1-(3-bicyclo[2.2.1]heptanyl)-4-(4-tert-butylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(3-bicyclo[2.2.1]heptanyl)-4-(4-tert-butylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(4-tert-butylphenyl)sulfonyl-4-norbornan-2-yl-1,4-diazepane CAS Name: 1-(3-bicyclo[2.2.1]heptanyl)-4-(4-tert-butylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(3-bicyclo[2.2.1]heptanyl)-4-(4-tert-butylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-4-(2-norbornyl)-1,4-diazepane Formula: C22H34N2O2S MolecularWeight: 390.58256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3CC4CCC3C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3CC4CCC3C4

InChI

InChI=1S/C22H34N2O2S/c1-22(2,3)19-7-9-20(10-8-19)27(25,26)24-12-4-11-23(13-14-24)21-16-17-5-6-18(21)15-17/h7-10,17-18,21H,4-6,11-16H2,1-3H3