3-[5-[(4-chlorophenyl)sulfonylamino]pentan-2-yl]-6-propan-2-yl-azulene-1-carboxylic acid

Systemtic Name: 3-[5-[(4-chlorophenyl)sulfonylamino]pentan-2-yl]-6-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 3-[4-[(4-chlorophenyl)sulfonylamino]-1-methyl-butyl]-6-isopropyl-azulene-1-carboxylic acid CAS Name: 3-[5-[(4-chlorophenyl)sulfonylamino]pentan-2-yl]-6-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[5-[(4-chlorophenyl)sulfonylamino]pentan-2-yl]-6-propan-2-ylazulene-1-carboxylic acid Traditional Name: 3-[4-[(4-chlorophenyl)sulfonylamino]-1-methyl-butyl]-6-isopropyl-azulene-1-carboxylic acid Formula: C25H28ClNO4S MolecularWeight: 474.01212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2C(C)CCCNS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)O)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2C(C)CCCNS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)O)C=C1

InChI

InChI=1S/C25H28ClNO4S/c1-16(2)18-6-12-21-22(13-7-18)24(25(28)29)15-23(21)17(3)5-4-14-27-32(30,31)20-10-8-19(26)9-11-20/h6-13,15-17,27H,4-5,14H2,1-3H3,(H,28,29)