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

Systemtic Name: 3-[1-(phenylsulfonylamino)pentyl]-6-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 3-[1-(benzenesulfonamido)pentyl]-6-isopropyl-azulene-1-carboxylic acid CAS Name: 3-[1-(benzenesulfonamido)pentyl]-6-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[1-(benzenesulfonamido)pentyl]-6-propan-2-ylazulene-1-carboxylic acid Traditional Name: 3-[1-(benzenesulfonamido)pentyl]-6-isopropyl-azulene-1-carboxylic acid Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C2C1=CC=C(C=C2)C(C)C)C(=O)O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC(C1=CC(=C2C1=CC=C(C=C2)C(C)C)C(=O)O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H29NO4S/c1-4-5-11-24(26-31(29,30)19-9-7-6-8-10-19)22-16-23(25(27)28)21-15-13-18(17(2)3)12-14-20(21)22/h6-10,12-17,24,26H,4-5,11H2,1-3H3,(H,27,28)