4-[4-(azepan-1-yl)phenyl]sulfonylbenzoic acid

Systemtic Name: 4-[4-(azepan-1-yl)phenyl]sulfonylbenzoic acid Openeye Name: 4-[4-(azepan-1-yl)phenyl]sulfonylbenzoic acid CAS Name: 4-[4-(1-azepanyl)phenyl]sulfonylbenzoic acid IUPAC Name: 4-[4-(azepan-1-yl)phenyl]sulfonylbenzoic acid Traditional Name: 4-[4-(azepan-1-yl)phenyl]sulfonylbenzoic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H21NO4S/c21-19(22)15-5-9-17(10-6-15)25(23,24)18-11-7-16(8-12-18)20-13-3-1-2-4-14-20/h5-12H,1-4,13-14H2,(H,21,22)