[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-oxidanyl-4-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-oxidanyl-4-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-hydroxy-4-(2-thienylsulfonylamino)benzoate CAS Name: 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-hydroxy-4-(2-thienylsulfonylamino)benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CS3)O

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CS3)O

InChI

InChI=1S/C19H22N2O6S2/c22-16-12-14(20-29(25,26)18-6-5-11-28-18)7-8-15(16)19(24)27-13-17(23)21-9-3-1-2-4-10-21/h5-8,11-12,20,22H,1-4,9-10,13H2