1-(4-tert-butylphenyl)sulfonyl-5-phenyl-2,3,4,7-tetrahydroazepine

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-5-phenyl-2,3,4,7-tetrahydroazepine Openeye Name: 1-(4-tert-butylphenyl)sulfonyl-5-phenyl-2,3,4,7-tetrahydroazepine CAS Name: 1-(4-tert-butylphenyl)sulfonyl-5-phenyl-2,3,4,7-tetrahydroazepine IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-5-phenyl-2,3,4,7-tetrahydroazepine Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-5-phenyl-2,3,4,7-tetrahydroazepine Formula: C22H27NO2S MolecularWeight: 369.52028

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO2S/c1-22(2,3)20-11-13-21(14-12-20)26(24,25)23-16-7-10-19(15-17-23)18-8-5-4-6-9-18/h4-6,8-9,11-15H,7,10,16-17H2,1-3H3