3-[1-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-6-methoxy-indol-3-yl]propanoic acid

Systemtic Name: 3-[1-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-6-methoxy-indol-3-yl]propanoic acid Openeye Name: 3-[1-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-6-methoxy-indol-3-yl]propanoic acid CAS Name: 3-[1-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-6-methoxy-3-indolyl]propanoic acid IUPAC Name: 3-[1-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-6-methoxyindol-3-yl]propanoic acid Traditional Name: 3-[1-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-6-methoxy-indol-3-yl]propionic acid Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CN2CCNS(=O)(=O)C3=CC=C(C=C3)Cl)CCC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CN2CCNS(=O)(=O)C3=CC=C(C=C3)Cl)CCC(=O)O

InChI

InChI=1S/C20H21ClN2O5S/c1-28-16-5-8-18-14(2-9-20(24)25)13-23(19(18)12-16)11-10-22-29(26,27)17-6-3-15(21)4-7-17/h3-8,12-13,22H,2,9-11H2,1H3,(H,24,25)