3-[4-[1H-indol-5-yl(phenylsulfonyl)amino]quinazolin-6-yl]cyclobutane-1-carboxylic acid

Systemtic Name: 3-[4-[1H-indol-5-yl(phenylsulfonyl)amino]quinazolin-6-yl]cyclobutane-1-carboxylic acid Openeye Name: 3-[4-[benzenesulfonyl(1H-indol-5-yl)amino]quinazolin-6-yl]cyclobutanecarboxylic acid CAS Name: 3-[4-[benzenesulfonyl(1H-indol-5-yl)amino]-6-quinazolinyl]-1-cyclobutanecarboxylic acid IUPAC Name: 3-[4-[benzenesulfonyl(1H-indol-5-yl)amino]quinazolin-6-yl]cyclobutane-1-carboxylic acid Traditional Name: 3-[4-[besyl(1H-indol-5-yl)amino]quinazolin-6-yl]cyclobutanecarboxylic acid Formula: C27H22N4O4S MolecularWeight: 498.55298

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC1C(=O)O)C2=CC3=C(C=C2)N=CN=C3N(C4=CC5=C(C=C4)NC=C5)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1C(CC1C(=O)O)C2=CC3=C(C=C2)N=CN=C3N(C4=CC5=C(C=C4)NC=C5)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C27H22N4O4S/c32-27(33)20-12-19(13-20)17-6-8-25-23(15-17)26(30-16-29-25)31(36(34,35)22-4-2-1-3-5-22)21-7-9-24-18(14-21)10-11-28-24/h1-11,14-16,19-20,28H,12-13H2,(H,32,33)