3-[1-azanyl-1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-carbazol-9-yl]propanoic acid

Systemtic Name: 3-[1-azanyl-1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-carbazol-9-yl]propanoic acid Openeye Name: 3-[1-amino-1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-carbazol-9-yl]propanoic acid CAS Name: 3-[1-amino-1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-carbazol-9-yl]propanoic acid IUPAC Name: 3-[1-amino-1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-carbazol-9-yl]propanoic acid Traditional Name: 3-[1-amino-1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-carbazol-9-yl]propionic acid Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C1)(N)S(=O)(=O)C3=CC=C(C=C3)F)N(C4=CC=CC=C24)CCC(=O)O

Isomeric SMILES

C1CC2=C(C(C1)(N)S(=O)(=O)C3=CC=C(C=C3)F)N(C4=CC=CC=C24)CCC(=O)O

InChI

InChI=1S/C21H21FN2O4S/c22-14-7-9-15(10-8-14)29(27,28)21(23)12-3-5-17-16-4-1-2-6-18(16)24(20(17)21)13-11-19(25)26/h1-2,4,6-10H,3,5,11-13,23H2,(H,25,26)