[4-(4-cyanophenyl)phenyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H24N2O4S/c27-19-20-5-7-21(8-6-20)22-9-13-24(14-10-22)32-26(29)23-11-15-25(16-12-23)33(30,31)28-17-3-1-2-4-18-28/h5-16H,1-4,17-18H2