3-(azepan-1-ylsulfonyl)benzoic acid

Systemtic Name: 3-(azepan-1-ylsulfonyl)benzoic acid Openeye Name: 3-(azepan-1-ylsulfonyl)benzoic acid CAS Name: 3-(1-azepanylsulfonyl)benzoic acid IUPAC Name: 3-(azepan-1-ylsulfonyl)benzoic acid Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c15-13(16)11-6-5-7-12(10-11)19(17,18)14-8-3-1-2-4-9-14/h5-7,10H,1-4,8-9H2,(H,15,16)