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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-4-chloranyl-2-methoxy-benzoic acid Openeye Name: 5-(azepan-1-ylsulfonyl)-4-chloro-2-methoxy-benzoic acid CAS Name: 5-(1-azepanylsulfonyl)-4-chloro-2-methoxybenzoic acid IUPAC Name: 5-(azepan-1-ylsulfonyl)-4-chloro-2-methoxybenzoic acid Traditional Name: 5-(azepan-1-ylsulfonyl)-4-chloro-2-methoxy-benzoic acid Formula: C14H18ClNO5S MolecularWeight: 347.81442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)S(=O)(=O)N2CCCCCC2)Cl

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)S(=O)(=O)N2CCCCCC2)Cl

InChI

InChI=1S/C14H18ClNO5S/c1-21-12-9-11(15)13(8-10(12)14(17)18)22(19,20)16-6-4-2-3-5-7-16/h8-9H,2-7H2,1H3,(H,17,18)