(3-benzamidophenyl) 5-(azepan-1-ylsulfonyl)-2-chloranyl-benzoate

Systemtic Name: (3-benzamidophenyl) 5-(azepan-1-ylsulfonyl)-2-chloranyl-benzoate Openeye Name: (3-benzamidophenyl) 5-(azepan-1-ylsulfonyl)-2-chloro-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-chlorobenzoic acid (3-benzamidophenyl) ester IUPAC Name: (3-benzamidophenyl) 5-(azepan-1-ylsulfonyl)-2-chlorobenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-benzoic acid (3-benzamidophenyl) ester Formula: C26H25ClN2O5S MolecularWeight: 513.0051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25ClN2O5S/c27-24-14-13-22(35(32,33)29-15-6-1-2-7-16-29)18-23(24)26(31)34-21-12-8-11-20(17-21)28-25(30)19-9-4-3-5-10-19/h3-5,8-14,17-18H,1-2,6-7,15-16H2,(H,28,30)