3-[[2-[(4-chlorophenyl)sulfonylamino]ethanoylamino]methyl]-6-propan-2-yl-azulene-1-carboxylic acid

Systemtic Name: 3-[[2-[(4-chlorophenyl)sulfonylamino]ethanoylamino]methyl]-6-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 3-[[[2-[(4-chlorophenyl)sulfonylamino]acetyl]amino]methyl]-6-isopropyl-azulene-1-carboxylic acid CAS Name: 3-[[[2-[(4-chlorophenyl)sulfonylamino]-1-oxoethyl]amino]methyl]-6-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[[[2-[(4-chlorophenyl)sulfonylamino]acetyl]amino]methyl]-6-propan-2-ylazulene-1-carboxylic acid Traditional Name: 3-[[[2-[(4-chlorophenyl)sulfonylamino]acetyl]amino]methyl]-6-isopropyl-azulene-1-carboxylic acid Formula: C23H23ClN2O5S MolecularWeight: 474.95712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN2O5S/c1-14(2)15-3-9-19-16(11-21(23(28)29)20(19)10-4-15)12-25-22(27)13-26-32(30,31)18-7-5-17(24)6-8-18/h3-11,14,26H,12-13H2,1-2H3,(H,25,27)(H,28,29)