4-(azepan-1-ylsulfonyl)benzoic acid

Systemtic Name: 4-(azepan-1-ylsulfonyl)benzoic acid Openeye Name: 4-(azepan-1-ylsulfonyl)benzoic acid CAS Name: 4-(1-azepanylsulfonyl)benzoic acid IUPAC Name: 4-(azepan-1-ylsulfonyl)benzoic acid Traditional Name: 4-(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=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

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