3-[5-(phenylsulfonylamino)pentyl]-6-propan-2-yl-azulene-1-carboxylic acid

Systemtic Name: 3-[5-(phenylsulfonylamino)pentyl]-6-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 3-[5-(benzenesulfonamido)pentyl]-6-isopropyl-azulene-1-carboxylic acid CAS Name: 3-[5-(benzenesulfonamido)pentyl]-6-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[5-(benzenesulfonamido)pentyl]-6-propan-2-ylazulene-1-carboxylic acid Traditional Name: 3-[5-(benzenesulfonamido)pentyl]-6-isopropyl-azulene-1-carboxylic acid Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CCCCCNS(=O)(=O)C3=CC=CC=C3)C(=O)O)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CCCCCNS(=O)(=O)C3=CC=CC=C3)C(=O)O)C=C1

InChI

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