(E)-3-[3-[4-(phenylsulfonylamino)butyl]-6-propan-2-yl-azulen-1-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[4-(phenylsulfonylamino)butyl]-6-propan-2-yl-azulen-1-yl]prop-2-enoic acid Openeye Name: (E)-3-[3-[4-(benzenesulfonamido)butyl]-6-isopropyl-azulen-1-yl]prop-2-enoic acid CAS Name: (E)-3-[3-[4-(benzenesulfonamido)butyl]-6-propan-2-yl-1-azulenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[4-(benzenesulfonamido)butyl]-6-propan-2-ylazulen-1-yl]prop-2-enoic acid Traditional Name: (E)-3-[3-[4-(benzenesulfonamido)butyl]-6-isopropyl-azulen-1-yl]acrylic acid Formula: C26H29NO4S MolecularWeight: 451.57776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CCCCNS(=O)(=O)C3=CC=CC=C3)C=CC(=O)O)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CCCCNS(=O)(=O)C3=CC=CC=C3)/C=C/C(=O)O)C=C1

InChI

InChI=1S/C26H29NO4S/c1-19(2)20-11-14-24-21(18-22(13-16-26(28)29)25(24)15-12-20)8-6-7-17-27-32(30,31)23-9-4-3-5-10-23/h3-5,9-16,18-19,27H,6-8,17H2,1-2H3,(H,28,29)/b16-13+