(E)-2-[4-[(4-chlorophenyl)sulfonyl-propan-2-yl-amino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid

Systemtic Name: (E)-2-[4-[(4-chlorophenyl)sulfonyl-propan-2-yl-amino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-2-[4-[(4-chlorophenyl)sulfonyl-isopropyl-amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-2-[4-[(4-chlorophenyl)sulfonyl-propan-2-ylamino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-2-[4-[(4-chlorophenyl)sulfonyl-propan-2-ylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-2-[4-[(4-chlorophenyl)sulfonyl-isopropyl-amino]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C26H27ClN2O4S MolecularWeight: 499.02158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)C(CCC=CC2=CN=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)C(CC/C=C/C2=CN=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H27ClN2O4S/c1-19(2)29(34(32,33)24-15-11-22(27)12-16-24)23-13-9-21(10-14-23)25(26(30)31)8-4-3-6-20-7-5-17-28-18-20/h3,5-7,9-19,25H,4,8H2,1-2H3,(H,30,31)/b6-3+