3-(azepan-1-ylsulfonylmethyl)benzoic acid

Systemtic Name: 3-(azepan-1-ylsulfonylmethyl)benzoic acid Openeye Name: 3-(azepan-1-ylsulfonylmethyl)benzoic acid CAS Name: 3-(1-azepanylsulfonylmethyl)benzoic acid IUPAC Name: 3-(azepan-1-ylsulfonylmethyl)benzoic acid Traditional Name: 3-(azepan-1-ylsulfonylmethyl)benzoic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)CC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H19NO4S/c16-14(17)13-7-5-6-12(10-13)11-20(18,19)15-8-3-1-2-4-9-15/h5-7,10H,1-4,8-9,11H2,(H,16,17)