3-[3-(azepan-1-ylsulfonyl)phenyl]propanoic acid

Systemtic Name: 3-[3-(azepan-1-ylsulfonyl)phenyl]propanoic acid Openeye Name: 3-[3-(azepan-1-ylsulfonyl)phenyl]propanoic acid CAS Name: 3-[3-(1-azepanylsulfonyl)phenyl]propanoic acid IUPAC Name: 3-[3-(azepan-1-ylsulfonyl)phenyl]propanoic acid Traditional Name: 3-[3-(azepan-1-ylsulfonyl)phenyl]propionic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4S/c17-15(18)9-8-13-6-5-7-14(12-13)21(19,20)16-10-3-1-2-4-11-16/h5-7,12H,1-4,8-11H2,(H,17,18)