1-(4-tert-butylphenyl)sulfonyl-4-phenyl-4-prop-2-enoxy-azepane

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-4-phenyl-4-prop-2-enoxy-azepane Openeye Name: 4-allyloxy-1-(4-tert-butylphenyl)sulfonyl-4-phenyl-azepane CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-phenyl-4-prop-2-enoxyazepane IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-4-phenyl-4-prop-2-enoxyazepane Traditional Name: 4-allyloxy-1-(4-tert-butylphenyl)sulfonyl-4-phenyl-azepane Formula: C25H33NO3S MolecularWeight: 427.59942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO3S/c1-5-20-29-25(22-10-7-6-8-11-22)16-9-18-26(19-17-25)30(27,28)23-14-12-21(13-15-23)24(2,3)4/h5-8,10-15H,1,9,16-20H2,2-4H3