methyl 4-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]sulfamoyl]benzoate

Systemtic Name: methyl 4-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]sulfamoyl]benzoate Openeye Name: methyl 4-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]sulfamoyl]benzoate CAS Name: 4-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]sulfamoyl]benzoate Traditional Name: 4-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]sulfamoyl]benzoic acid methyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)[C@H](C1=CC2=C(C=C1)OCCCO2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H25NO6S/c1-14(2)20(16-7-10-18-19(13-16)28-12-4-11-27-18)22-29(24,25)17-8-5-15(6-9-17)21(23)26-3/h5-10,13-14,20,22H,4,11-12H2,1-3H3/t20-/m1/s1