2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-chloro-benzoyl]amino]benzoic acid CAS Name: 2-[[[5-(1-azepanylsulfonyl)-2-chlorophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[5-(azepan-1-ylsulfonyl)-2-chlorobenzoyl]amino]benzoic acid Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-chloro-benzoyl]amino]benzoic acid Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H21ClN2O5S/c21-17-10-9-14(29(27,28)23-11-5-1-2-6-12-23)13-16(17)19(24)22-18-8-4-3-7-15(18)20(25)26/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,22,24)(H,25,26)