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

Systemtic Name: 3-[4-[(4-methylphenyl)sulfonylamino]butyl]-6-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 6-isopropyl-3-[4-(p-tolylsulfonylamino)butyl]azulene-1-carboxylic acid CAS Name: 3-[4-[(4-methylphenyl)sulfonylamino]butyl]-6-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[4-[(4-methylphenyl)sulfonylamino]butyl]-6-propan-2-ylazulene-1-carboxylic acid Traditional Name: 6-isopropyl-3-[4-(tosylamino)butyl]azulene-1-carboxylic acid Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC2=CC(=C3C2=CC=C(C=C3)C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC2=CC(=C3C2=CC=C(C=C3)C(C)C)C(=O)O

InChI

InChI=1S/C25H29NO4S/c1-17(2)19-9-13-22-20(16-24(25(27)28)23(22)14-10-19)6-4-5-15-26-31(29,30)21-11-7-18(3)8-12-21/h7-14,16-17,26H,4-6,15H2,1-3H3,(H,27,28)