[4-(4-cyanophenyl)phenyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C26H23ClN2O4S MolecularWeight: 494.98982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClN2O4S/c27-24-14-11-22(17-25(24)34(31,32)29-15-3-1-2-4-16-29)26(30)33-23-12-9-21(10-13-23)20-7-5-19(18-28)6-8-20/h5-14,17H,1-4,15-16H2