5-(azepan-1-ylsulfonyl)-2-(dibutylamino)-4-methoxy-benzoic acid

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-(dibutylamino)-4-methoxy-benzoic acid Openeye Name: 5-(azepan-1-ylsulfonyl)-2-(dibutylamino)-4-methoxy-benzoic acid CAS Name: 5-(1-azepanylsulfonyl)-2-(dibutylamino)-4-methoxybenzoic acid IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-(dibutylamino)-4-methoxybenzoic acid Traditional Name: 5-(azepan-1-ylsulfonyl)-2-(dibutylamino)-4-methoxy-benzoic acid Formula: C22H36N2O5S MolecularWeight: 440.59664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC(=C(C=C1C(=O)O)S(=O)(=O)N2CCCCCC2)OC

Isomeric SMILES

CCCCN(CCCC)C1=CC(=C(C=C1C(=O)O)S(=O)(=O)N2CCCCCC2)OC

InChI

InChI=1S/C22H36N2O5S/c1-4-6-12-23(13-7-5-2)19-17-20(29-3)21(16-18(19)22(25)26)30(27,28)24-14-10-8-9-11-15-24/h16-17H,4-15H2,1-3H3,(H,25,26)