2-(azepan-1-yl)-5-(azepan-1-ylsulfonyl)-4-chloranyl-benzoic acid

Systemtic Name: 2-(azepan-1-yl)-5-(azepan-1-ylsulfonyl)-4-chloranyl-benzoic acid Openeye Name: 2-(azepan-1-yl)-5-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid CAS Name: 2-(1-azepanyl)-5-(1-azepanylsulfonyl)-4-chlorobenzoic acid IUPAC Name: 2-(azepan-1-yl)-5-(azepan-1-ylsulfonyl)-4-chlorobenzoic acid Traditional Name: 2-(azepan-1-yl)-5-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid Formula: C19H27ClN2O4S MolecularWeight: 414.94668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=C(C=C2C(=O)O)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

C1CCCN(CC1)C2=CC(=C(C=C2C(=O)O)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C19H27ClN2O4S/c20-16-14-17(21-9-5-1-2-6-10-21)15(19(23)24)13-18(16)27(25,26)22-11-7-3-4-8-12-22/h13-14H,1-12H2,(H,23,24)