1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-phenyl-azepan-4-ol

Systemtic Name: 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-phenyl-azepan-4-ol Openeye Name: 1-[4-(1,1-dimethylpropyl)phenyl]sulfonyl-4-phenyl-azepan-4-ol CAS Name: 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-phenyl-4-azepanol IUPAC Name: 1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-phenylazepan-4-ol Traditional Name: 1-(4-tert-amylphenyl)sulfonyl-4-phenyl-azepan-4-ol Formula: C23H31NO3S MolecularWeight: 401.56214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(CC2)(C3=CC=CC=C3)O

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(CC2)(C3=CC=CC=C3)O

InChI

InChI=1S/C23H31NO3S/c1-4-22(2,3)19-11-13-21(14-12-19)28(26,27)24-17-8-15-23(25,16-18-24)20-9-6-5-7-10-20/h5-7,9-14,25H,4,8,15-18H2,1-3H3