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

Systemtic Name: [4-(phenylcarbonyl)phenyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (4-benzoylphenyl) 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (4-benzoylphenyl) ester IUPAC Name: (4-benzoylphenyl) 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (4-benzoylphenyl) ester Formula: C26H24ClNO5S MolecularWeight: 497.99046

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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(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClNO5S/c27-23-15-12-21(18-24(23)34(31,32)28-16-6-1-2-7-17-28)26(30)33-22-13-10-20(11-14-22)25(29)19-8-4-3-5-9-19/h3-5,8-15,18H,1-2,6-7,16-17H2