3-[[2-(phenylsulfonylamino)ethanoylamino]methyl]-6-propan-2-yl-azulene-1-carboxylic acid

Systemtic Name: 3-[[2-(phenylsulfonylamino)ethanoylamino]methyl]-6-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 3-[[[2-(benzenesulfonamido)acetyl]amino]methyl]-6-isopropyl-azulene-1-carboxylic acid CAS Name: 3-[[[2-(benzenesulfonamido)-1-oxoethyl]amino]methyl]-6-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[[[2-(benzenesulfonamido)acetyl]amino]methyl]-6-propan-2-ylazulene-1-carboxylic acid Traditional Name: 3-[[[2-(benzenesulfonamido)acetyl]amino]methyl]-6-isopropyl-azulene-1-carboxylic acid Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CNC(=O)CNS(=O)(=O)C3=CC=CC=C3)C(=O)O)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CNC(=O)CNS(=O)(=O)C3=CC=CC=C3)C(=O)O)C=C1

InChI

InChI=1S/C23H24N2O5S/c1-15(2)16-8-10-19-17(12-21(23(27)28)20(19)11-9-16)13-24-22(26)14-25-31(29,30)18-6-4-3-5-7-18/h3-12,15,25H,13-14H2,1-2H3,(H,24,26)(H,27,28)