2-[4-[2-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl-propyl-amino]ethyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[2-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl-propyl-amino]ethyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[2-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-propyl-amino]ethyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]ethyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]ethyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[2-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-propyl-amino]ethyl]phenoxy]-2-methyl-propionic acid Formula: C24H28ClNO5S2 MolecularWeight: 510.06582

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC1=CC=C(C=C1)OC(C)(C)C(=O)O)S(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C

Isomeric SMILES

CCCN(CCC1=CC=C(C=C1)OC(C)(C)C(=O)O)S(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C

InChI

InChI=1S/C24H28ClNO5S2/c1-5-13-26(14-12-17-6-9-19(10-7-17)31-24(3,4)23(27)28)33(29,30)22-16(2)20-15-18(25)8-11-21(20)32-22/h6-11,15H,5,12-14H2,1-4H3,(H,27,28)