[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 5-(cyclopropylsulfamoyl)-2-methyl-benzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 5-(cyclopropylsulfamoyl)-2-methyl-benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 5-(cyclopropylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(cyclopropylsulfamoyl)-2-methylbenzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(cyclopropylsulfamoyl)-2-methyl-benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)OC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)OC(C)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H28N2O5S/c1-14-7-10-17(28(25,26)21-16-8-9-16)13-18(14)20(24)27-15(2)19(23)22-11-5-3-4-6-12-22/h7,10,13,15-16,21H,3-6,8-9,11-12H2,1-2H3