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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-4-methoxy-2-methyl-benzoic acid Openeye Name: 5-(azepan-1-ylsulfonyl)-4-methoxy-2-methyl-benzoic acid CAS Name: 5-(1-azepanylsulfonyl)-4-methoxy-2-methylbenzoic acid IUPAC Name: 5-(azepan-1-ylsulfonyl)-4-methoxy-2-methylbenzoic acid Traditional Name: 5-(azepan-1-ylsulfonyl)-4-methoxy-2-methyl-benzoic acid Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)N2CCCCCC2)OC

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)N2CCCCCC2)OC

InChI

InChI=1S/C15H21NO5S/c1-11-9-13(21-2)14(10-12(11)15(17)18)22(19,20)16-7-5-3-4-6-8-16/h9-10H,3-8H2,1-2H3,(H,17,18)