3-[5-(phenylsulfonylamino)pentyl]-7-propan-2-yl-azulene-1-carboxylic acid

Systemtic Name: 3-[5-(phenylsulfonylamino)pentyl]-7-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 3-[5-(benzenesulfonamido)pentyl]-7-isopropyl-azulene-1-carboxylic acid CAS Name: 3-[5-(benzenesulfonamido)pentyl]-7-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[5-(benzenesulfonamido)pentyl]-7-propan-2-ylazulene-1-carboxylic acid Traditional Name: 3-[5-(benzenesulfonamido)pentyl]-7-isopropyl-azulene-1-carboxylic acid Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)O)CCCCCNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=CC2=C(C=C(C2=C1)C(=O)O)CCCCCNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H29NO4S/c1-18(2)19-11-9-14-22-20(17-24(25(27)28)23(22)16-19)10-5-4-8-15-26-31(29,30)21-12-6-3-7-13-21/h3,6-7,9,11-14,16-18,26H,4-5,8,10,15H2,1-2H3,(H,27,28)