2-(4-sulfamoylphenoxy)ethyl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate

Systemtic Name: 2-(4-sulfamoylphenoxy)ethyl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate Openeye Name: 2-(4-sulfamoylphenoxy)ethyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylate CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-piperidinecarboxylic acid 2-(4-sulfamoylphenoxy)ethyl ester IUPAC Name: 2-(4-sulfamoylphenoxy)ethyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylate Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)isonipecotic acid 2-(4-sulfamoylphenoxy)ethyl ester Formula: C21H23N3O7S2 MolecularWeight: 493.55322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCOC2=CC=C(C=C2)S(=O)(=O)N)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCC1C(=O)OCCOC2=CC=C(C=C2)S(=O)(=O)N)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H23N3O7S2/c22-32(26,27)17-7-5-16(6-8-17)30-13-14-31-21(25)15-9-11-24(12-10-15)20-18-3-1-2-4-19(18)33(28,29)23-20/h1-8,15H,9-14H2,(H2,22,26,27)