[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate CAS Name: 3-(cyclopropylsulfamoyl)-4-methoxybenzoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate Traditional Name: 3-(cyclopropylsulfamoyl)-4-methoxy-benzoic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCCCCC2)S(=O)(=O)NC3CC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCCCCC2)S(=O)(=O)NC3CC3

InChI

InChI=1S/C20H28N2O6S/c1-27-17-10-7-15(13-18(17)29(25,26)21-16-8-9-16)20(24)28-14-19(23)22-11-5-3-2-4-6-12-22/h7,10,13,16,21H,2-6,8-9,11-12,14H2,1H3