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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC(C2=CC3=C(C=C2)OCCCO3)C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC(C2=CC3=C(C=C2)OCCCO3)C(C)C

InChI

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