3-[4-[(4-bromophenyl)sulfonylamino]butyl]-6-propan-2-yl-azulene-1-carboxylic acid

Systemtic Name: 3-[4-[(4-bromophenyl)sulfonylamino]butyl]-6-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 3-[4-[(4-bromophenyl)sulfonylamino]butyl]-6-isopropyl-azulene-1-carboxylic acid CAS Name: 3-[4-[(4-bromophenyl)sulfonylamino]butyl]-6-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[4-[(4-bromophenyl)sulfonylamino]butyl]-6-propan-2-ylazulene-1-carboxylic acid Traditional Name: 3-[4-(brosylamino)butyl]-6-isopropyl-azulene-1-carboxylic acid Formula: C24H26BrNO4S MolecularWeight: 504.43654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CCCCNS(=O)(=O)C3=CC=C(C=C3)Br)C(=O)O)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CCCCNS(=O)(=O)C3=CC=C(C=C3)Br)C(=O)O)C=C1

InChI

InChI=1S/C24H26BrNO4S/c1-16(2)17-6-12-21-18(15-23(24(27)28)22(21)13-7-17)5-3-4-14-26-31(29,30)20-10-8-19(25)9-11-20/h6-13,15-16,26H,3-5,14H2,1-2H3,(H,27,28)