9-[[4-[(3-chlorophenyl)amino]quinazolin-6-yl]carbamoyloxymethyl]-9H-fluorene-2-sulfonic acid

Systemtic Name: 9-[[4-[(3-chlorophenyl)amino]quinazolin-6-yl]carbamoyloxymethyl]-9H-fluorene-2-sulfonic acid Openeye Name: 9-[[4-(3-chloroanilino)quinazolin-6-yl]carbamoyloxymethyl]-9H-fluorene-2-sulfonic acid CAS Name: 9-[[[[4-(3-chloroanilino)-6-quinazolinyl]amino]-oxomethoxy]methyl]-9H-fluorene-2-sulfonic acid IUPAC Name: 9-[[4-(3-chloroanilino)quinazolin-6-yl]carbamoyloxymethyl]-9H-fluorene-2-sulfonic acid Traditional Name: 9-[[4-(3-chloroanilino)quinazolin-6-yl]carbamoyloxymethyl]-9H-fluorene-2-sulfonic acid Formula: C29H21ClN4O5S MolecularWeight: 573.01884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C3=C(C=C(C=C3)S(=O)(=O)O)C(C2=C1)COC(=O)NC4=CC5=C(C=C4)N=CN=C5NC6=CC(=CC=C6)Cl

Isomeric SMILES

C1=CC=C2C3=C(C=C(C=C3)S(=O)(=O)O)C(C2=C1)COC(=O)NC4=CC5=C(C=C4)N=CN=C5NC6=CC(=CC=C6)Cl

InChI

InChI=1S/C29H21ClN4O5S/c30-17-4-3-5-18(12-17)33-28-25-13-19(8-11-27(25)31-16-32-28)34-29(35)39-15-26-22-7-2-1-6-21(22)23-10-9-20(14-24(23)26)40(36,37)38/h1-14,16,26H,15H2,(H,34,35)(H,31,32,33)(H,36,37,38)