5-[2-(azepan-1-yl)-5-chloranyl-phenyl]azanidylsulfonyl-2-oxidanyl-benzoate

Systemtic Name: 5-[2-(azepan-1-yl)-5-chloranyl-phenyl]azanidylsulfonyl-2-oxidanyl-benzoate Openeye Name: 5-[2-(azepan-1-yl)-5-chloro-phenyl]azanidylsulfonyl-2-hydroxy-benzoate CAS Name: 5-[2-(1-azepanyl)-5-chlorophenyl]azanidylsulfonyl-2-hydroxybenzoate IUPAC Name: 5-[2-(azepan-1-yl)-5-chlorophenyl]azanidylsulfonyl-2-hydroxybenzoate Traditional Name: 5-[2-(azepan-1-yl)-5-chloro-phenyl]azanidylsulfonyl-2-hydroxy-benzoate Formula: C19H19ClN2O5S-2 MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)Cl)[N-]S(=O)(=O)C3=CC(=C(C=C3)O)C(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)Cl)[N-]S(=O)(=O)C3=CC(=C(C=C3)O)C(=O)[O-]

InChI

InChI=1S/C19H20ClN2O5S/c20-13-5-7-17(22-9-3-1-2-4-10-22)16(11-13)21-28(26,27)14-6-8-18(23)15(12-14)19(24)25/h5-8,11-12,23H,1-4,9-10H2,(H,24,25)/q-1/p-1