5-[(2-chlorophenyl)-(phenylsulfonyloxy)methoxy]-1-(1-thiophen-3-ylethyl)indole-2-carboxylic acid

Systemtic Name: 5-[(2-chlorophenyl)-(phenylsulfonyloxy)methoxy]-1-(1-thiophen-3-ylethyl)indole-2-carboxylic acid Openeye Name: 5-[benzenesulfonyloxy-(2-chlorophenyl)methoxy]-1-[1-(3-thienyl)ethyl]indole-2-carboxylic acid CAS Name: 5-[benzenesulfonyloxy-(2-chlorophenyl)methoxy]-1-[1-(3-thiophenyl)ethyl]-2-indolecarboxylic acid IUPAC Name: 5-[benzenesulfonyloxy-(2-chlorophenyl)methoxy]-1-(1-thiophen-3-ylethyl)indole-2-carboxylic acid Traditional Name: 5-[besyloxy-(2-chlorophenyl)methoxy]-1-[1-(3-thienyl)ethyl]indole-2-carboxylic acid Formula: C28H22ClNO6S2 MolecularWeight: 568.06038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CSC=C1)N2C3=C(C=C(C=C3)OC(C4=CC=CC=C4Cl)OS(=O)(=O)C5=CC=CC=C5)C=C2C(=O)O

Isomeric SMILES

CC(C1=CSC=C1)N2C3=C(C=C(C=C3)OC(C4=CC=CC=C4Cl)OS(=O)(=O)C5=CC=CC=C5)C=C2C(=O)O

InChI

InChI=1S/C28H22ClNO6S2/c1-18(19-13-14-37-17-19)30-25-12-11-21(15-20(25)16-26(30)27(31)32)35-28(23-9-5-6-10-24(23)29)36-38(33,34)22-7-3-2-4-8-22/h2-18,28H,1H3,(H,31,32)