3-[5-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yl-indol-1-yl]propanoic acid

Systemtic Name: 3-[5-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-yl-indol-1-yl]propanoic acid Openeye Name: 3-[5-[(4-chlorophenyl)sulfonylamino]-3-(3-pyridyl)indol-1-yl]propanoic acid CAS Name: 3-[5-[(4-chlorophenyl)sulfonylamino]-3-(3-pyridinyl)-1-indolyl]propanoic acid IUPAC Name: 3-[5-[(4-chlorophenyl)sulfonylamino]-3-pyridin-3-ylindol-1-yl]propanoic acid Traditional Name: 3-[5-[(4-chlorophenyl)sulfonylamino]-3-(3-pyridyl)indol-1-yl]propionic acid Formula: C22H18ClN3O4S MolecularWeight: 455.91402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=CN(C3=C2C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl)CCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C2=CN(C3=C2C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl)CCC(=O)O

InChI

InChI=1S/C22H18ClN3O4S/c23-16-3-6-18(7-4-16)31(29,30)25-17-5-8-21-19(12-17)20(15-2-1-10-24-13-15)14-26(21)11-9-22(27)28/h1-8,10,12-14,25H,9,11H2,(H,27,28)