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

Systemtic Name: 3-[3-(phenylsulfonylamino)propyl]-7-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 3-[3-(benzenesulfonamido)propyl]-7-isopropyl-azulene-1-carboxylic acid CAS Name: 3-[3-(benzenesulfonamido)propyl]-7-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[3-(benzenesulfonamido)propyl]-7-propan-2-ylazulene-1-carboxylic acid Traditional Name: 3-[3-(benzenesulfonamido)propyl]-7-isopropyl-azulene-1-carboxylic acid Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO4S/c1-16(2)17-8-6-12-20-18(15-22(23(25)26)21(20)14-17)9-7-13-24-29(27,28)19-10-4-3-5-11-19/h3-6,8,10-12,14-16,24H,7,9,13H2,1-2H3,(H,25,26)