4-[1-(3-nitrophenyl)sulfonylindol-3-yl]butanoic acid

Systemtic Name: 4-[1-(3-nitrophenyl)sulfonylindol-3-yl]butanoic acid Openeye Name: 4-[1-(3-nitrophenyl)sulfonylindol-3-yl]butanoic acid CAS Name: 4-[1-(3-nitrophenyl)sulfonyl-3-indolyl]butanoic acid IUPAC Name: 4-[1-(3-nitrophenyl)sulfonylindol-3-yl]butanoic acid Traditional Name: 4-[1-(3-nitrophenyl)sulfonylindol-3-yl]butyric acid Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])CCCC(=O)O

InChI

InChI=1S/C18H16N2O6S/c21-18(22)10-3-5-13-12-19(17-9-2-1-8-16(13)17)27(25,26)15-7-4-6-14(11-15)20(23)24/h1-2,4,6-9,11-12H,3,5,10H2,(H,21,22)