(4-cyanophenyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: (4-cyanophenyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (4-cyanophenyl) 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (4-cyanophenyl) ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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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)C#N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O4S/c21-18-10-7-16(20(24)27-17-8-5-15(14-22)6-9-17)13-19(18)28(25,26)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12H2