2-[1-(3-nitrophenyl)sulfonylindol-3-yl]butanoic acid

Systemtic Name: 2-[1-(3-nitrophenyl)sulfonylindol-3-yl]butanoic acid Openeye Name: 2-[1-(3-nitrophenyl)sulfonylindol-3-yl]butanoic acid CAS Name: 2-[1-(3-nitrophenyl)sulfonyl-3-indolyl]butanoic acid IUPAC Name: 2-[1-(3-nitrophenyl)sulfonylindol-3-yl]butanoic acid Traditional Name: 2-[1-(3-nitrophenyl)sulfonylindol-3-yl]butyric acid Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC(C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H16N2O6S/c1-2-14(18(21)22)16-11-19(17-9-4-3-8-15(16)17)27(25,26)13-7-5-6-12(10-13)20(23)24/h3-11,14H,2H2,1H3,(H,21,22)