3-[1H-indol-5-yl(phenylsulfonyl)amino]-2-quinazolin-6-yl-cyclobutane-1-carboxylic acid

Systemtic Name: 3-[1H-indol-5-yl(phenylsulfonyl)amino]-2-quinazolin-6-yl-cyclobutane-1-carboxylic acid Openeye Name: 3-[benzenesulfonyl(1H-indol-5-yl)amino]-2-quinazolin-6-yl-cyclobutanecarboxylic acid CAS Name: 3-[benzenesulfonyl(1H-indol-5-yl)amino]-2-(6-quinazolinyl)-1-cyclobutanecarboxylic acid IUPAC Name: 3-[benzenesulfonyl(1H-indol-5-yl)amino]-2-quinazolin-6-ylcyclobutane-1-carboxylic acid Traditional Name: 3-[besyl(1H-indol-5-yl)amino]-2-quinazolin-6-yl-cyclobutanecarboxylic acid Formula: C27H22N4O4S MolecularWeight: 498.55298

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C1N(C2=CC3=C(C=C2)NC=C3)S(=O)(=O)C4=CC=CC=C4)C5=CC6=CN=CN=C6C=C5)C(=O)O

Isomeric SMILES

C1C(C(C1N(C2=CC3=C(C=C2)NC=C3)S(=O)(=O)C4=CC=CC=C4)C5=CC6=CN=CN=C6C=C5)C(=O)O

InChI

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