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

Systemtic Name: (3-cyanophenyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (3-cyanophenyl) 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (3-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=CC(=C3)C#N)Cl

Isomeric SMILES

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

InChI

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