(E)-3-[3-[2-(phenylsulfonylamino)ethyl]-7-propan-2-yl-azulen-1-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[2-(phenylsulfonylamino)ethyl]-7-propan-2-yl-azulen-1-yl]prop-2-enoic acid Openeye Name: (E)-3-[3-[2-(benzenesulfonamido)ethyl]-7-isopropyl-azulen-1-yl]prop-2-enoic acid CAS Name: (E)-3-[3-[2-(benzenesulfonamido)ethyl]-7-propan-2-yl-1-azulenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[2-(benzenesulfonamido)ethyl]-7-propan-2-ylazulen-1-yl]prop-2-enoic acid Traditional Name: (E)-3-[3-[2-(benzenesulfonamido)ethyl]-7-isopropyl-azulen-1-yl]acrylic acid Formula: C24H25NO4S MolecularWeight: 423.5246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C1=CC=CC2=C(C=C(C2=C1)/C=C/C(=O)O)CCNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H25NO4S/c1-17(2)18-7-6-10-22-20(15-19(23(22)16-18)11-12-24(26)27)13-14-25-30(28,29)21-8-4-3-5-9-21/h3-12,15-17,25H,13-14H2,1-2H3,(H,26,27)/b12-11+